466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	3:3:4:4:	4:4:3:1:	4:4:2:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C-4:O-2:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H)	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6,6a]2C)(C[6]C[6]O)(H){1|O<1>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	113.0110	1.581	2	113.0110	2.500	2	113.0110	2.500	2	113.0110	2.500	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	3:4:3:4:	3:4:3:4:	4:1:1:1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<2>,2|H<1>,6|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	111.1955	0.097	2	110.1865	1.531	4	110.1865	1.531	4	110.1865	1.531	4	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	3:4:3:4:	3:4:3:4:	4:1:1:1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){3|H<1>,6|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	109.1775	0.715	2	110.1865	1.531	4	110.1865	1.531	4	110.1865	1.531	4	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	3:4:3:4:	4:4:3:4:	4:1:1:1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:2:2:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H)	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	C[3x6](C[3x6]C[4x6]C[6]H)(O[6,6]C[3x6])(O[6,6]C[4x6])(CCHH){1|S<2>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(C[6]S[6]HH)(H){1|H<1>,3|C<4>}	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:3:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3){4|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2)2(CH3){4|H<1>,5|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	111.8580	0.000	1	111.8580	0.000	1	111.8580	0.000	1	109.4010	5.521	3	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:3:3:4:	4:1:1:1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C(C[3x6]C[3x6]N[6,6]2)(H)3	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C(C[3x6]C[3x6]N[6,6]2)(H)3	107.1760	0.000	1	108.1725	1.986	2	108.1725	1.986	2	109.4010	5.521	3	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:3:3:4:	4:1:1:1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C(C[3x6]C[3x6]N[6,6]2)(H)3	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|C<3>,4|C<4>,8|H<1>}	C(C[3x6]C[3x6]N[6,6]2)(H)3	109.1690	0.000	1	108.1725	1.986	2	108.1725	1.986	2	109.4010	5.521	3	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]C)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(CCH)(H)2	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[3,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:3:2:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6]-3:O[6]-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6])	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){1|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:3:3:	4:4:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6a]-3:C[6]-3:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H)	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	C[3x6](C[3x6]C[3x6]C[6a]C[6])(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CCHH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	114.7730	0.000	1	114.7730	0.000	1	114.5345	0.114	2	114.5345	0.114	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	114.2960	0.000	1	114.2960	0.000	1	114.5345	0.114	2	114.5345	0.114	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:3:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6])	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6]O)(C[6,6]O[6,6]O)(CH3){3|H<1>,6|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6]){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	114.0250	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:3:4:4:	4:4:4:4:	4:4:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH){1|S<4>,6|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	112.9030	0.000	1	112.9030	0.000	1	112.9030	0.000	1	112.9030	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:S[6]-2:C-4:	C[3x6]-4:C[6,6]-4:S[6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3)	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H)	C(C[3x6]C[4,6,6]C[3x6]S[6])(H)3	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]S[6]C)(C[6,6]C[4,6,6]HH)(S[6]C[5,6])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C(C[3x6]C[4,6,6]C[3x6]S[6])(H)3	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:O[6]-2:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(C[6]C[6,6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	112.1535	0.078	2	112.1535	0.006	2	112.1535	0.006	2	112.1535	0.006	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6]C[6,6a]C[6])(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,2|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:3:3:4:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]2C[6])(H)3	110.6390	0.000	1	110.6390	0.000	1	110.4960	0.041	2	110.4960	0.041	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:3:3:4:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]2C[6])(H)3	110.3530	0.000	1	110.3530	0.000	1	110.4960	0.041	2	110.4960	0.041	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:2:1:	4:4:1:1:	C[3x6]-4:C[4x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH)	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H)	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[5,3x6]HH)(O[6,6]C[6,6])(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3){1|C<4>,1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[3x6]2C[6])(H)3	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	111.5315	0.062	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)(CH3){1|C<4>,1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[3x6]C[3x6]2C[6])(H)3	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.5315	0.062	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6a]C[6]Fe)(C[3x6]C[6,6]2C)(C[6,6]C[6]2)(CH3){1|Fe<7>,3|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	110.4395	0.030	2	110.4395	0.001	2	110.4395	0.001	2	110.4395	0.001	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[3x6]C[3x6]2C[6])(H)3	110.0330	0.000	1	110.0330	0.000	1	110.0330	0.000	1	110.6647	1.008	6	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[5,6]-4:C[3x6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3)	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5]C[6]O[5])(C[3x6]C[3x6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C(C[3x6]C[3x6]2C[6])(H)3	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	110.6647	1.008	6	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|O<1>,4|H<1>,5|C<4>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	110.6647	1.008	6	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	110.3395	0.729	2	110.3395	0.531	2	110.3395	0.531	2	110.6647	1.008	6	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:N[6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3)	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H)	C(C[3x6]C[3x6]C[4x6]N[6])(H)3	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3){2|C<3>,4|C<4>,8|H<1>}	C[3x6](C[3x6]C[4x6]N[6]C)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[4x6]N[6])(H)3	111.0150	0.000	1	111.0150	0.000	1	111.0150	0.000	1	110.6647	1.008	6	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:3:3:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[3x6]2C[6])(H)3	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH)	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH){1|S<4>,6|C<4>,6|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H)	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6]C)(C[6,6]C[4,6,6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,5|C<4>}	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	109.1645	1.890	2	109.1645	3.572	2	109.1645	3.572	2	109.0107	3.405	7	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,4|C<4>,9|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	107.5065	0.077	2	107.4753	0.006	3	108.9492	4.198	5	109.0107	3.405	7	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){5|C<4>,9|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|H<1>,2|O<2>,5|C<4>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	107.4130	0.000	1	107.4753	0.006	3	108.9492	4.198	5	109.0107	3.405	7	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	111.1600	0.699	2	111.1600	0.488	2	108.9492	4.198	5	109.0107	3.405	7	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO)	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H)	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,8|H<1>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(H){2|O<2>,3|C<4>,4|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[3x6]-4:C[6]-3:O[6]-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6])	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	112.1500	0.919	3	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6])	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	111.2850	0.000	1	111.2850	0.000	1	112.2330	1.797	2	112.1500	0.919	3	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-3:O[6]-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6])	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(O[6]C[6]){1|C<3>,3|C<4>,7|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	113.1810	0.000	1	113.1810	0.000	1	112.2330	1.797	2	112.1500	0.919	3	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H)	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C(C[3x6]C[3x6]2C[6])(H)3	110.3320	0.000	1	110.3320	0.000	1	110.3320	0.000	1	109.7085	1.121	4	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[4x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3)	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[3x6]C[4x6]C[6]C)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	109.7085	1.121	4	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[4x6]C[5,6]C[6,6]O[6,6])(C[3x6]C[4x6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	109.7085	1.121	4	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[3x6]C[5,4x6]C[6]C)(C[6,6]C[4x6]HH)(C[6,6]N[3x6]HH)(H)	C(C[3x6]C[5,4x6]C[3x6]C[6])(H)3	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[3x6](C[3x6]C[5,4x6]C[6]C)(C[6,6]C[4x6]HH)(C[6,6]N[3x6]HH)(H){3|H<1>,5|C<4>}	C(C[3x6]C[5,4x6]C[3x6]C[6])(H)3	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	109.7085	1.121	4	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[3x6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	114.9175	0.110	2	114.9175	0.012	2	114.9175	0.012	2	114.9175	0.012	2	111.2449	4.747	56	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:3:4:4:	3:4:4:1:	4:1:1:1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	108.0910	0.000	1	108.3905	0.179	2	108.3905	0.179	2	108.8323	0.675	3	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:3:4:4:	3:4:4:1:	4:1:1:1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	108.6900	0.000	1	108.3905	0.179	2	108.3905	0.179	2	108.8323	0.675	3	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:3:4:4:	3:4:4:1:	4:1:1:1:	C[4x6]-4:N[6,6]-3:C[6]-4:C-4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H)	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H){1|C<4>,4|C<3>,7|H<1>}	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	108.8323	0.675	3	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:2:4:	4:4:3:4:	4:4:1:1:	C[4x6]-4:C[6,6]-4:O[6]-2:C-4:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH)	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:3:4:	3:4:3:3:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]N[5a,6,6]C[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	109.1690	0.031	2	109.1690	0.001	2	109.1690	0.001	2	109.1690	0.001	2	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:3:4:	3:4:4:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:N[6]-3:C-4:	C[6,6a]-3:C[3x6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2	C(C[3x6]C[3x6]C[4x6]N[6])(H)3	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3){2|C<3>,4|C<4>,8|H<1>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2{1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C(C[3x6]C[3x6]C[4x6]N[6])(H)3	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[4x6]-4:C[6]-3:C-4:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH)	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H)	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]C[6,6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:O[6,6]-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	114.5550	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H)	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	C(C[3x6]C[4x6]2H)(H)3	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[3x6]C[4x6]2H)(H)3	116.6420	0.000	1	116.6420	0.000	1	116.6420	0.000	1	116.6420	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[4x6]-4:C[4x6]-4:C-4:H-1:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H)	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	C(C[3x6]C[4x6]2H)(H)3	C[3x6](C[4x6]C[5a,6,6]C[4x6]H)(C[4x6]C[4x6]C[6,6]H)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[3x6]C[4x6]2H)(H)3	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	115.0730	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:2:	4:4:3:1:	4:4:2:1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:P-4:O-2:H-1:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H)	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]H)(H){2|C<4>,6|H<1>}	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	C[4x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[3x6]-4:P-4:O-2:H-1:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H)	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]CO)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H)	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H){1|C<4>,4|C<3>,7|H<1>}	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:3:2:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[5,5,6,6]-4:C[4x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-3:C[5,6,6]-4:C[6,6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3)	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH)	C(C[3x6]C[5,5,6,6]C[4x6]C[6])(H)3	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3){1|C<3>,1|O<1>,3|H<1>,5|O<2>,6|C<4>}	C[4x6](C[3x6]C[5,5,6,6]C[6]C)(C[6,6]C[3,6,6]C[6])(C[5,6,6]O[5,6]2C)(C[6,6]C[5,6,6]HH){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C(C[3x6]C[5,5,6,6]C[4x6]C[6])(H)3	111.7218	0.354	4	111.7218	0.125	4	111.7218	0.125	4	111.7218	0.125	4	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH)	C(C[3x6]C[4x6]C[6,6]2)(H)3	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH){2|O<2>,4|C<4>,6|H<1>}	C(C[3x6]C[4x6]C[6,6]2)(H)3	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,4|C<4>,9|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	110.8125	0.260	2	111.5028	0.436	5	111.5028	0.436	5	111.5028	0.436	5	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	112.0685	0.144	2	111.5028	0.436	5	111.5028	0.436	5	111.5028	0.436	5	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){5|C<4>,9|H<1>}	C[4x6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){2|O<2>,4|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	111.7520	0.000	1	111.5028	0.436	5	111.5028	0.436	5	111.5028	0.436	5	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:2:4:	4:2:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:O[6,6]-2:C[6]-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH)	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,8|H<1>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(C[6]C[6]HH){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:3:3:	4:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH)	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H)	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[4x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6]N[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	111.8240	2.688	2	111.8240	7.228	2	111.8240	7.228	2	111.8240	7.228	2	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C[5,6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3)	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C(C[3x6]C[4x6]C[5,6]C[6,6])(H)3	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[3x6]C[4x6]C[5,6]C[6,6])(H)3	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	109.9120	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:O[6,6]-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|Cl<1>,1|O<1>,5|C<4>,7|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[4x6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,3x6]-4:C[4x6]-4:C[5,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3)	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH)	C(C[3x6]C[5,3x6]C[4x6]C[5,6])(H)3	C[3x6](C[5,3x6]C[5,4x6]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[5,6]C[5,6]O[5]H)(CH3){10|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[4x6](C[3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6]C[5,6]HH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[3x6]C[5,3x6]C[4x6]C[5,6])(H)3	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.5038	5.504	31	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,4|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	110.8418	0.573	8	110.8418	0.328	8	110.8418	0.328	8	110.7649	0.357	10	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3)	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2{1|C<4>,8|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)3	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	110.7649	0.357	10	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2{1|N<3>,2|C<3>,2|C<4>}	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	110.7649	0.357	10	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:3:4:4:	4:4:4:3:	4:1:1:1:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO)	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO){1|N<3>,2|C<3>,2|C<4>}	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	112.1450	0.000	1	112.1450	0.000	1	112.5090	0.265	2	112.2300	0.657	25	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]O[6,6])(H)3	112.8730	0.000	1	112.8730	0.000	1	112.5090	0.265	2	112.2300	0.657	25	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,1|N<2>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.1312	1.122	11	112.1723	0.753	21	112.2057	0.697	23	112.2300	0.657	25	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.1803	0.529	8	112.1723	0.753	21	112.2057	0.697	23	112.2300	0.657	25	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|N<2>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.3665	0.646	2	112.1723	0.753	21	112.2057	0.697	23	112.2300	0.657	25	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]P[6,6])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]P[6,6])(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,6|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|P<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.5565	0.090	2	112.5565	0.008	2	112.2057	0.697	23	112.2300	0.657	25	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:2:1:	4:2:1:1:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	C[3x6](C[6,6]C[3,6,6]O)(C[6,6]C[6,6]HO)(O[6,6]N[6,6])(CHHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	115.1640	0.000	1	115.1640	0.000	1	115.1640	0.000	1	115.1640	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:2:4:	4:4:4:1:	4:3:1:1:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H)	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]2)(H)2	114.6420	0.000	1	114.6420	0.000	1	114.6420	0.000	1	114.6420	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	112.8498	0.778	5	112.8498	0.605	5	112.8498	0.605	5	111.1476	4.481	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	111.1476	4.481	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<4>,3|H<1>,4|B<6>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|O<2>}	C(C[3x6]C[6,6]2N[6,6])(H)3	108.8200	0.418	3	108.8200	0.175	3	108.8200	0.175	3	111.1476	4.481	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){1|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	113.3525	0.899	2	113.5107	0.479	3	113.5107	0.479	3	113.5107	0.479	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[5,5,6,6]O)(C[6,6]C[5,6,6]HH)(C[6,6]C[5,3x6]O)(CCHH){2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>,3|O<1>}	C(C[3x6]C[6,6]3)(CCH)(H)2	113.8270	0.000	1	113.5107	0.479	3	113.5107	0.479	3	113.5107	0.479	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	112.6170	0.000	1	112.6170	0.000	1	112.6772	0.069	5	112.3528	0.686	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	112.8150	0.212	3	112.6923	0.090	4	112.6772	0.069	5	112.3528	0.686	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	112.3240	0.000	1	112.6923	0.090	4	112.6772	0.069	5	112.3528	0.686	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){2|C<3>,3|C<4>}	C(C[3x6]C[6,6]2N[6,6])(H)3	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	112.3528	0.686	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:3:1:1:	C[6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[5a]-3:H-1:H-1:	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H)	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:4:4:1:	C[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C-4:C-4:H-1:	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H)	C(C[3x6]C[6,6]3)(CH3)2(H)	C[3x6](C[6,6]C[5,6,6]O)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]O)(CCCH){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H){1|C<3>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(CH3)2(H)	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:2:	4:1:1:1:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3){1|C<4>,4|C<3>,7|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|N<2>,1|O<1>,4|C<4>}	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	111.9615	0.152	2	111.9615	0.023	2	111.9615	0.023	2	111.9615	0.023	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:3:4:	4:4:3:4:	4:1:1:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]2)(H)3	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	113.8210	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]S)(H)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<5>,1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]S)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	105.1010	0.000	1	105.1010	0.000	1	105.6312	0.800	4	105.6312	0.800	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<5>,1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	106.8140	0.000	1	105.8080	1.013	3	105.6312	0.800	4	105.6312	0.800	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)2(CH3){1|Nb<6>,2|Si<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	105.3050	0.713	2	105.8080	1.013	3	105.6312	0.800	4	105.6312	0.800	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]2N[6,6])(H)3	109.7873	0.232	3	111.2168	0.857	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	111.6671	0.557	8	111.2168	0.857	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	111.4760	0.000	1	111.2168	0.857	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	111.6430	0.000	1	111.2168	0.857	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]2N[6,6])(H)3	112.4380	0.328	3	111.8642	0.336	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	111.6538	0.572	8	111.8642	0.336	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	111.5420	0.000	1	111.8642	0.336	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	112.1490	0.000	1	111.8642	0.336	13	111.5405	0.681	26	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	S[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2	C(C[3x6]C[6,6]2S[6,6])(H)3	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[3x6]C[6,6]2S[6,6])(H)3	111.7915	0.818	2	111.7915	0.669	2	111.7915	0.669	2	111.5584	0.660	28	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	3:4:4:4:	4:4:4:2:	4:1:1:1:	S[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	C(C[3x6]C[6,6]2S[6,6])(H)3	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2S[6,6])(H)3	114.5890	0.560	2	114.5890	0.314	2	114.5890	0.314	2	114.5890	0.314	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])(O[6,6]C[4x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	114.7270	0.000	1	114.7270	0.000	1	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.2181	0.410	22	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Cl<1>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.4895	0.431	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.2270	0.143	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<2>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.0275	0.151	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<3>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|P<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.7507	0.561	4	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Co<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.8690	0.130	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Ir<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.6585	0.294	4	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<1>,1|P<4>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	112.7860	0.037	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	112.9813	0.377	6	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	112.2258	1.728	6	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.9963	1.169	4	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|O<2>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	114.1895	0.489	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.4695	0.730	14	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|O<2>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.5722	0.772	10	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.0630	0.195	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Rh<4>,1|N<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.6852	0.458	4	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CH3){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{4|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	113.2820	0.025	2	113.3396	0.602	90	113.3549	0.616	91	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[4x6]HH)(O[6,6]C[3x6])2(CH3){2|O<2>,4|C<4>}	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	115.0860	0.000	1	115.0145	0.010	2	115.0145	0.010	2	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(H)3	C[3x6](C[6,6]C[6,6]HH)(O[6,6]C[5,6,6])2(CH3){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(H)3	114.9430	0.000	1	115.0145	0.010	2	115.0145	0.010	2	113.4065	0.678	94	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	C[3x6](C[6,6]C[3x6]HH)(O[6,6]C[3x6])2(CCHH){1|O<2>,1|P<4>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	114.3720	0.470	2	114.3720	0.220	2	114.3720	0.220	2	114.3720	0.220	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	114.8710	0.000	1	114.8710	0.000	1	115.2060	0.224	2	115.2060	0.224	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:2:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	115.5410	0.000	1	115.5410	0.000	1	115.2060	0.224	2	115.2060	0.224	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:3:4:	4:3:4:1:	4:4:4:4:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[3x6]-4:C-4:C-4:C-4:	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H)	C(C[3x6]C[6,6]2O[6,6])(CH3)3	C[3x6](C[6,6]C[6,6]C[6]H)(O[6,6]C[5,3x6])(C[6,6]C[6,6]H)(CC3){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]O)(C[6]C[6]2H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CH3)3	118.4580	0.000	1	118.4580	0.000	1	118.4580	0.000	1	118.4580	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	C(C[3x6]C[6,6]2O[6,6])(H)3	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[3x6]C[6,6]2O[6,6])(H)3	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2{2|C<2>,2|C<3>}	C(C[3x6]C[6,6]2N[6,6])(H)3	111.3825	0.238	2	111.3825	0.057	2	111.3825	0.057	2	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	C(C[3x6]C[6,6]2O[6,6])(H)3	112.8087	0.540	3	112.8087	0.292	3	113.3207	0.356	7	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	C(C[3x6]C[6,6]2O[6,6])(H)3	113.6607	0.275	3	113.6607	0.076	3	113.3207	0.356	7	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[3x6]C[6,6]2O[6,6])(H)3	113.8370	0.000	1	113.8370	0.000	1	113.3207	0.356	7	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]Cl)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]Cl)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Cl<1>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.9330	0.294	2	112.9330	0.087	2	112.7650	0.352	8	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]H)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]H)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.9075	0.063	2	112.9075	0.004	2	112.7650	0.352	8	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]O)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]O)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<2>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.4105	0.367	2	112.4105	0.135	2	112.7650	0.352	8	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:P[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]P)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]P)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|P<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.8090	1.375	2	112.8090	1.890	2	112.7650	0.352	8	112.8312	0.661	17	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(O[6,6]N[6,6])(CCCH){1|C<4>,1|C<5>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	114.3003	0.533	3	114.3003	0.284	3	114.3003	0.284	3	114.3003	0.284	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:2:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]N[5,6,6]O)(O[6,6]O[6,6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	3:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(CH3)3	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3){2|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[3x6]C[6,6]3)(CH3)3	113.2690	0.000	1	113.2690	0.000	1	113.2690	0.000	1	113.2690	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]C)(CH3){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[3x6]C[6,6]3)(H)3	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	110.9516	6.096	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(C[3x6]C[6,6]3)(H)3	111.3445	0.827	2	111.3445	0.683	2	111.3445	0.683	2	110.9516	6.096	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]N[6,6]2)(H)3	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	114.7957	0.624	3	114.6252	0.376	4	114.6252	0.376	4	110.9516	6.096	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]N[6,6]2)(H)3	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|H<1>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	114.1140	0.000	1	114.6252	0.376	4	114.6252	0.376	4	110.9516	6.096	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]N[6,6]2)(H)3	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	109.4525	0.568	2	109.1737	0.394	3	109.1454	0.297	8	110.9516	6.096	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]N[6,6]2)(H)3	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	108.6160	0.000	1	109.1737	0.394	3	109.1454	0.297	8	110.9516	6.096	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]N[6,6]2)(H)3	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|H<1>,1|N<3>,4|C<4>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	109.1284	0.567	5	109.1284	0.322	5	109.1454	0.297	8	110.9516	6.096	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|H<1>,2|O<1>,5|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	112.8950	0.559	2	112.8950	0.312	2	112.0280	2.874	5	112.7695	2.898	8	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	112.6235	0.646	2	111.4500	4.340	3	112.0280	2.874	5	112.7695	2.898	8	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<1>,5|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	109.1030	0.000	1	111.4500	4.340	3	112.0280	2.874	5	112.7695	2.898	8	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	114.7960	0.000	1	114.4575	0.229	2	114.4575	0.229	2	112.7695	2.898	8	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	114.1190	0.000	1	114.4575	0.229	2	114.4575	0.229	2	112.7695	2.898	8	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	112.7695	2.898	8	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CCCH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C(C[3x6]C[6,6]3)(CCCH)(H)2	114.3950	0.000	1	114.3950	0.000	1	114.0415	0.250	2	114.1737	0.644	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(CCHH){1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	113.6880	0.000	1	113.6880	0.000	1	114.0415	0.250	2	114.1737	0.644	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH){1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	114.3060	1.270	2	114.3060	1.613	2	114.3060	1.613	2	114.1737	0.644	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:F-1:F-1:F-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	113.5830	0.000	1	113.5830	0.000	1	113.5830	0.000	1	113.5830	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[3x6]C[6,6]3)(H)3	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	113.7020	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C(C[3x6]C[6,6]3)(H)3	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C[3]-4:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]O)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[3]C[3]O[3]H)(H){2|H<1>,2|O<1>,6|C<4>}	C(C[3x6]C[6,6]3)(CCH)(H)2	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	112.6375	3.223	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[3x6]C[6,6]3)(CCH)(H)2	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	112.6375	3.223	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[3x6]C[6,6]3)(H)3	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:3:4:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C(C[3x6]C[6,6]3)(CCH)(H)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C(C[3x6]C[6,6]3)(CCH)(H)2	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C-4:	N[3,6,6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3)	C[6,6](N[3,6,6]Nb[3,3,3x6]C[3,3])(C[3x6]C[3x6]C[6,6]C)(H)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3){1|Nb<7>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](N[3,6,6]Nb[3,3,3x6]C[3,3])(C[3x6]C[3x6]C[6,6]C)(H)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|N<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	106.7860	0.975	4	106.7860	0.951	4	106.7860	0.951	4	106.7860	0.951	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[6,6]N[3,6,6]HH)(C[3x6]N[3x6]C[6])(C[6,6]N[6,6]HH)(CH3){1|Nb<7>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	106.7750	0.850	4	106.7750	0.722	4	106.7750	0.722	4	106.7750	0.722	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	112.0940	0.000	1	112.0940	0.000	1	111.8660	0.104	2	111.6223	0.230	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	C(C[3x6]C[6,6a]C[4x6]C[6,6])(H)3	111.6380	0.000	1	111.6380	0.000	1	111.8660	0.104	2	111.6223	0.230	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[5,6,6]2C[6,6])(H)3	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	111.6223	0.230	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C[3x6](C[3x6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]H)(CCHH){1|S<4>,6|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[5,6,6]2C[6,6])(H)3	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	113.0530	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:2:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO)	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO){1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	112.8377	1.076	6	112.8377	1.158	6	112.8377	1.158	6	112.8377	1.158	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	112.0140	0.000	1	112.0140	0.000	1	112.4190	0.445	3	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)2(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[6,6]HH)2(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	112.6215	0.803	2	112.6215	0.644	2	112.4190	0.445	3	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:P[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	114.0505	0.445	2	114.0505	0.198	2	114.0505	0.198	2	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|H<1>,2|O<2>,6|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.5460	0.564	2	112.5460	0.318	2	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a]Co)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a]Co)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Co<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.9670	0.484	2	112.9670	0.234	2	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a]Ir)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a]Ir)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Ir<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.1213	0.342	4	112.1213	0.117	4	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.7510	0.475	6	112.8542	0.360	10	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	113.0090	0.807	4	112.8542	0.360	10	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,1|N<2>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	111.9978	0.788	6	111.8209	0.445	12	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]C[6a]Pt)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	111.6440	0.532	6	111.8209	0.445	12	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]N[6]Rh)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]N[6]Rh)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|C<3>,2|O<2>,5|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Rh<4>,1|N<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	111.8375	0.557	4	111.8375	0.310	4	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|O<1>,2|O<2>,6|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<1>,1|P<4>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.2150	2.698	2	112.2150	7.281	2	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]PdC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]PdC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	111.9922	1.090	4	111.9922	1.188	4	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]PdO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]PdO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|O<2>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.5880	1.598	2	112.5880	2.554	2	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	113.4200	0.684	2	112.7272	1.546	4	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]PtC)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,3|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.0345	1.500	2	112.7272	1.546	4	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](P[6,6]C[3x6]PtO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	C[3x6](P[6,6]C[3x6]PtO)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|O<2>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	112.0925	0.839	10	112.0925	0.704	10	112.2618	0.796	56	112.3282	0.852	61	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	112.7190	0.000	1	111.4155	3.398	2	111.4155	3.398	2	112.5403	2.820	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	110.1120	0.000	1	111.4155	3.398	2	111.4155	3.398	2	112.5403	2.820	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	C[3x6](P[6,6]C[3x6]C[6a]Pd)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){2|C<3>,2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	113.6650	0.040	2	113.6650	0.002	2	113.6650	0.002	2	112.5403	2.820	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CH3)2(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CH3)2(H)	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[6,6]2O[6,6])(H)3	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	111.8250	0.533	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(CH3){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(H)3	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	111.8250	0.533	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	C[3x6](C[6,6]C[6,6]HO)(C[6,6]O[6,6]HH)(O[6,6]C[6,6])(CHHO){1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(OH)(H)2	112.3983	1.193	6	112.3983	1.422	6	112.3983	1.422	6	112.3983	1.422	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H)	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H)	C(C[3x6]C[6,6]2O[6,6])(H)3	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[3x6]C[6,6]2O[6,6])(H)3	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[4x6]-4:C[6,6]-4:O[6]-2:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH)	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H)	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(O[6]C[6])(CCHH){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]O[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	113.6765	4.709	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	115.2110	0.000	1	115.2110	0.000	1	115.2110	0.000	1	113.6765	4.709	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-2:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C(C[3x6]C[6,6]3)(CH3)2(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]3)(CH3)2(H)	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	3:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.7335	0.367	2	111.7335	0.135	2	111.7335	0.135	2	111.7335	0.135	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	N[6,6]-3:C[3x6]-4:C-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H){2|H<1>,3|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CH3)(H)2	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:2:2:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H)	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	110.4450	0.008	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	110.4450	0.008	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:3:2:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	111.1255	0.257	2	111.1255	0.066	2	111.1467	0.031	4	111.1467	0.031	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:3:2:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H)	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	111.0550	0.000	1	111.0550	0.000	1	111.1467	0.031	4	111.1467	0.031	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:3:2:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H)	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	111.2810	0.000	1	111.2810	0.000	1	111.1467	0.031	4	111.1467	0.031	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:3:3:1:	4:2:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H)	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]C[6a]H)(C[6,6]C[6,6]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C(C[3x6]C[5,6,6]C[6,6]2)(OH)(H)2	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	110.7745	0.713	2	110.7745	0.509	2	110.7745	0.509	2	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	C(C[3x6]C[6,6]3)(H)3	112.6825	0.825	2	112.6825	0.681	2	110.6947	4.474	6	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6]3)(H)3	110.8080	0.000	1	110.8080	0.000	1	110.6947	4.474	6	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]C)(CH3){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,1|C<4>,1|N<4>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	108.1910	0.628	2	108.1910	0.394	2	110.6947	4.474	6	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]O)(CH3){2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.6130	0.000	1	111.6130	0.000	1	110.6947	4.474	6	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:O-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)(O)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)(O){2|O<1>,3|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.7445	0.040	2	110.7445	0.002	2	110.8950	0.698	4	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:O-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)(O)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)(O){2|O<1>,3|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.0455	1.415	2	111.0455	2.002	2	110.8950	0.698	4	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|Si<4>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	109.6430	0.000	1	109.6430	0.000	1	108.7554	2.048	15	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(CH3){1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[3x6]C[6,6]3)(H)3	109.2490	0.000	1	109.2490	0.000	1	108.7554	2.048	15	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.7210	0.000	1	109.7210	0.000	1	108.7554	2.048	15	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<4>,1|H<1>,1|N<3>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	108.1254	1.418	8	108.1254	2.010	8	108.7554	2.048	15	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|Se<1>,1|H<1>,1|N<3>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	108.5250	0.000	1	108.5250	0.000	1	108.7554	2.048	15	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	108.6905	0.276	2	108.6905	0.076	2	108.7554	2.048	15	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.8090	0.000	1	111.8090	0.000	1	108.7554	2.048	15	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C(C[3x6]C[6,6]3)(H)3	111.8580	0.107	3	111.8580	0.011	3	111.8580	0.011	3	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.2090	0.485	2	110.9623	0.300	3	110.9623	0.300	3	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.4690	0.000	1	110.9623	0.300	3	110.9623	0.300	3	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	112.6000	0.313	2	112.6000	0.098	2	111.9063	0.533	6	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)2(H)2	C(C[3x6]C[6,6]2N[6,6])(H)3	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){1|N<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)2(H)2{2|C<4>,2|O<1>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	111.5595	0.612	4	111.5595	0.375	4	111.9063	0.533	6	110.2699	3.147	39	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[3x6]C[6,6]3)(CH3)(H)2	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	113.0830	0.091	2	113.0830	0.008	2	113.0830	0.008	2	113.0830	0.008	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[3x6]C[6,6]3)(H)3	103.1970	0.000	1	103.1970	0.000	1	103.1970	0.000	1	109.9068	11.145	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[5,6,6]O)(CH3){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	111.0943	0.717	3	111.0943	0.514	3	111.0943	0.514	3	109.9068	11.145	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	109.9068	11.145	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:F-1:F-1:F-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	109.9068	11.145	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:2:1:1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	110.3200	0.000	1	110.3200	0.000	1	109.7360	8.345	11	109.7360	8.345	11	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	109.2190	0.000	1	109.2190	0.000	1	109.7360	8.345	11	109.7360	8.345	11	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	104.1425	0.209	2	104.1425	0.044	2	109.7360	8.345	11	109.7360	8.345	11	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|C<3>,2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|H<1>,2|C<3>,3|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	111.3990	0.220	3	111.3246	0.426	7	109.7360	8.345	11	109.7360	8.345	11	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){1|Cl<1>,2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	111.6947	0.356	3	111.3246	0.426	7	109.7360	8.345	11	109.7360	8.345	11	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:2:2:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]C)(CCHH){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CC)(CN)2{1|C<3>,1|H<1>,4|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	109.9910	0.000	1	111.3246	0.426	7	109.7360	8.345	11	109.7360	8.345	11	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C-3:H-1:	C[3x6]-4:Br-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H)	C(C[3x6]C[5,6,6]C[6,6]2)(Br)(H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(CBrHH){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(COO)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[3x6]C[5,6,6]C[6,6]2)(Br)(H)2	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	112.8577	1.416	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	112.6860	0.000	1	112.6860	0.000	1	113.3425	0.862	2	112.8577	1.416	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	113.9990	0.000	1	113.9990	0.000	1	113.3425	0.862	2	112.8577	1.416	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:F-1:F-1:F-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	C(C[3x6]C[6,6]2N[6,6])(F)3	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	112.8577	1.416	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	112.3680	0.288	2	112.3680	0.083	2	112.3680	0.083	2	112.3680	0.083	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H){2|O<1>,3|H<1>,4|C<4>}	C(C[3x6]C[6,6]3)(H)3	112.8190	0.731	2	112.8190	0.535	2	112.6470	0.356	3	111.6543	5.600	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|Si<4>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[3x6]C[6,6]3)(H)3	112.3030	0.000	1	112.3030	0.000	1	112.6470	0.356	3	111.6543	5.600	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<4>,1|N<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.4811	1.413	8	110.4811	1.996	8	110.6339	1.957	9	111.6543	5.600	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|Se<1>,1|N<3>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.8560	0.000	1	111.8560	0.000	1	110.6339	1.957	9	111.6543	5.600	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	111.6543	5.600	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H)	C(C[3x6]C[5,6,6]C[6,6]2)(CCH)(H)2	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[3x6]C[5,6,6]C[6,6]2)(CCH)(H)2	114.6460	0.542	4	114.6460	0.293	4	114.6460	0.293	4	114.6460	0.293	4	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|O<2>,3|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]2)(H)3	113.5605	0.740	2	113.5605	0.548	2	113.5605	0.548	2	113.5605	0.548	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2{4|C<4>,5|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.5580	0.905	3	110.5580	0.820	3	110.5580	0.820	3	109.0460	1.819	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|Ga<6>,3|C<3>}	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	C(C[3x6]C[6,6]3)(H)3	108.8683	0.423	3	108.8683	0.179	3	108.2900	0.524	6	109.0460	1.819	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|In<6>,3|C<3>}	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	C(C[3x6]C[6,6]3)(H)3	107.7117	0.358	3	107.7117	0.128	3	108.2900	0.524	6	109.0460	1.819	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	C(C[3x6]C[6,6]3)(H)3	111.3715	0.600	2	111.3715	0.360	2	111.3715	0.360	2	111.7043	0.513	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[3x6]-4:B[6,6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H){2|C<3>,5|H<1>,8|C<4>}	C(C[3x6]C[6,6]3)(H)3	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	111.7043	0.513	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	107.7295	0.712	2	107.7295	0.507	2	107.7295	0.507	2	110.6271	2.049	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[4x6])(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[4x6])(H)2{2|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	109.3080	0.000	1	109.3080	0.000	1	110.8905	1.347	22	110.6271	2.049	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|As<3>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2{2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.6663	0.851	3	109.6663	0.724	3	110.8905	1.347	22	110.6271	2.049	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|C<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2{1|C<4>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	112.3762	0.668	6	112.3762	0.446	6	110.8905	1.347	22	110.6271	2.049	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|P<3>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.3713	0.395	3	110.5857	0.296	12	110.8905	1.347	22	110.6271	2.049	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Fe<8>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.7288	0.672	6	110.5857	0.296	12	110.8905	1.347	22	110.6271	2.049	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]O[6,6]HH)3(CH3){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Rh<4>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.5137	0.451	3	110.5857	0.296	12	110.8905	1.347	22	110.6271	2.049	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(OC)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(OC)(H)2	110.3887	1.479	3	110.3887	2.188	3	110.2761	1.936	15	110.2761	1.936	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(OH)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(OH)(H)2	110.1753	0.846	3	110.3522	1.786	6	110.2761	1.936	15	110.2761	1.936	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(OH)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|S<1>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(OH)(H)2	110.5290	1.912	3	110.3522	1.786	6	110.2761	1.936	15	110.2761	1.936	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(OP)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<3>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(OP)(H)2	110.2587	0.668	3	110.2587	0.447	3	110.2761	1.936	15	110.2761	1.936	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(OS)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CHHO){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(OS)(H)2	110.0290	2.515	3	110.0290	6.326	3	110.2761	1.936	15	110.2761	1.936	15	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|As<3>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2{2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	110.0752	1.295	6	110.0752	1.678	6	110.6454	2.838	42	110.6454	2.838	42	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Fe<8>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	111.2050	2.087	6	110.7405	3.020	36	110.6454	2.838	42	110.6454	2.838	42	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Mo<6>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	110.5808	1.911	12	110.7405	3.020	36	110.6454	2.838	42	110.6454	2.838	42	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<6>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	110.6694	1.604	9	110.7405	3.020	36	110.6454	2.838	42	110.6454	2.838	42	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<9>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	110.7492	1.658	6	110.7405	3.020	36	110.6454	2.838	42	110.6454	2.838	42	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]O[6,6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	C(C[3x6]C[6,6]3)(CH3)(H)2	C[3x6](C[6,6]O[6,6]HH)3(CCHH){1|P<4>}	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|W<7>,2|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(CH3)(H)2	110.6457	1.968	3	110.7405	3.020	36	110.6454	2.838	42	110.6454	2.838	42	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3)	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H)	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]O[6,6]HO)(CH3){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]2C[6,6])(H)3	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]2C[6,6])(H)3	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	110.4104	0.929	20	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{2|C<2>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.2290	0.943	4	111.2290	0.890	4	110.9760	0.987	5	110.4104	0.929	20	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.9640	0.000	1	109.9640	0.000	1	110.9760	0.987	5	110.4104	0.929	20	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,2|C<3>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.5135	0.540	2	111.5135	0.291	2	111.5135	0.291	2	110.4104	0.929	20	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[6,6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[6,6]HH)3(CH3){1|P<4>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2{1|N<2>,2|N<3>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.8832	0.630	12	109.8832	0.398	12	109.8832	0.398	12	110.4104	0.929	20	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(C[3x6]C[6,6]3)(OH)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CHHO){3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	C(C[3x6]C[6,6]3)(OH)(H)2	111.3474	1.286	12	111.3474	1.653	12	111.3474	1.653	12	111.3474	1.653	12	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH){5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,6|H<1>}	C(C[3x6]C[6,6]3)(CCHH)(H)2	110.3975	0.728	6	110.3975	0.529	6	110.3975	0.529	6	110.3975	0.529	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:4:3:	4:1:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:C[6]-4:C-3:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO)	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCO){4|C<3>,4|C<4>,4|H<1>}	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	110.6160	0.000	1	110.6160	0.000	1	110.6160	0.000	1	111.8660	1.172	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:3:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:C-4:C-3:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3){1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO){3|H<1>,4|C<4>}	C(C[3x6]C[6,6]3)(H)3	112.4910	0.000	2	112.4910	0.000	2	112.4910	0.000	2	111.8660	1.172	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5]-3:C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(N[5]C[5,6a]C[5])(C[3x6]C[6,6]3)(H)2	110.1123	3.051	3	110.1123	9.310	3	110.1123	9.310	3	110.1988	5.201	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	N[5a]-3:C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CN[5a]HH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5a]HH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]3)(H)2	110.2420	2.143	6	110.2420	4.591	6	110.2420	4.591	6	110.1988	5.201	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	3:4:4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[5a]C[5a]O[5a])(C[3x6]C[6,6]3)2(OH)	111.5332	3.177	6	111.5332	10.093	6	111.6752	11.352	12	111.6752	11.352	12	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	3:4:4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[3x6]-4:C[3x6]-4:O-2:	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[5a]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)2(OH)	111.8172	3.851	6	111.8172	14.832	6	111.6752	11.352	12	111.6752	11.352	12	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	110.0370	0.569	2	110.0370	0.323	2	110.0370	0.323	2	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	C[3x6](C[5,5,6,6]C[5,5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2{3|C<4>,4|C<3>}	C(C[3x6]C[5,5,6,6]C[6,6]2)(H)3	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[4x6]C[5,6]C[6,6])(H)3	C[3x6](C[5,6]C[5]C[6]O[5])(C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C(C[3x6]C[4x6]C[5,6]C[6,6])(H)3	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,2|H<1>,3|C<4>}	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.9465	0.172	2	110.9465	0.030	2	110.9465	0.030	2	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]B[3x6]HH)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.4930	0.258	4	109.4930	0.067	4	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|N<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.7075	0.588	6	111.7075	0.346	6	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,1|C<4>,1|N<4>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.0615	0.323	2	110.6275	1.265	8	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.6130	0.472	2	110.6275	1.265	8	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,2|O<2>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.4610	0.376	2	110.6275	1.265	8	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.3745	0.142	2	110.6275	1.265	8	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,2|O<2>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.6590	0.249	2	110.6590	0.062	2	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,7|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.4228	0.574	4	110.7192	0.598	51	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.7221	0.886	34	110.7192	0.598	51	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<4>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.9371	0.463	7	110.7192	0.598	51	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.6462	0.445	6	110.7192	0.598	51	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.8290	0.486	34	109.7377	0.285	50	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<4>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.9035	0.318	8	109.7377	0.285	50	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|N<4>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.1838	0.597	8	109.7377	0.285	50	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<2>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.4471	0.407	17	110.6037	0.270	74	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,2|C<4>,7|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.9253	0.225	4	110.6037	0.270	74	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.0242	0.115	4	110.6037	0.270	74	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.7601	0.505	34	110.6037	0.270	74	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){1|H<1>,1|N<4>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.3690	0.462	8	110.6037	0.270	74	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.1023	0.750	3	110.6037	0.270	74	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)3(CH3){2|N<4>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.0433	0.127	4	110.6037	0.270	74	110.4246	0.611	195	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:F-1:F-1:F-1:	C[3x6](C[6,6]C[6,6]HH)3(CF3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(F)3	C[3x6](C[6,6]C[6,6]HH)3(CF3){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(F)3	110.2372	0.175	5	110.2372	0.030	5	110.2372	0.030	5	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	110.3920	0.000	1	110.3920	0.000	1	111.1591	1.412	16	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3){1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[3x6]C[6,6]3)(H)3	108.8700	0.000	2	108.8700	0.000	2	111.1591	1.412	16	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.5855	0.671	6	111.5855	0.450	6	111.1591	1.412	16	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	112.0835	0.642	4	112.0835	0.412	4	111.1591	1.412	16	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.8200	0.000	1	111.8200	0.000	1	111.1591	1.412	16	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[3x6]C[6,6]3)(H)3	110.3730	0.666	2	110.3730	0.444	2	111.1591	1.412	16	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.3733	0.980	12	109.3733	0.961	12	109.5067	0.746	17	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.9005	0.043	2	109.9005	0.002	2	109.5067	0.746	17	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.4630	0.150	2	109.4630	0.022	2	109.5067	0.746	17	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,6|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.4070	0.000	1	110.4070	0.000	1	109.5067	0.746	17	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[3,6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3)	C[6,6](C[3x6]N[3,6,6]C[6,6]C)2(H)2	C(C[3x6]N[3,6,6]C[6,6]2)(H)3	C[3x6](N[3,6,6]C[3x6]O[3]2)(C[6,6]C[3x6]HH)2(CH3){1|N<4>,5|C<4>}	C[6,6](C[3x6]N[3,6,6]C[6,6]C)2(H)2{2|C<4>,4|H<1>,4|O<2>}	C(C[3x6]N[3,6,6]C[6,6]2)(H)3	111.3275	1.023	4	111.3275	1.047	4	111.3275	1.047	4	110.4188	0.773	244	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(OC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(OC)(H)2	110.1692	2.075	6	110.1692	4.305	6	110.2025	4.308	12	110.2029	4.012	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHO)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(OC[6a])(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(OC[6a])(H)2	110.2358	2.274	6	110.2358	5.171	6	110.2025	4.308	12	110.2029	4.012	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-2:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(SH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS){1|Br<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(SH)(H)2	109.6267	2.195	3	109.6267	4.820	3	110.2031	4.066	15	110.2029	4.012	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-2:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(SC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(SC)(H)2	109.8653	2.315	4	109.8653	5.361	4	110.2031	4.066	15	110.2029	4.012	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-2:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(SC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(SC)(H)2	111.4270	1.151	2	111.4270	1.325	2	110.2031	4.066	15	110.2029	4.012	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:S-2:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHS)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(SH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHS){1|Br<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(SH)(H)2	110.3087	2.252	6	110.3087	5.073	6	110.2031	4.066	15	110.2029	4.012	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-2:N-2:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CN)(NC)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CN)(NC)(H)	109.9743	2.076	3	109.9743	4.311	3	109.9743	4.311	3	109.9743	4.311	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2	C(C[3x6]C[6,6]3)(COO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|Br<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(COO)(H)2	111.8320	0.000	1	111.8320	0.000	1	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CCO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CCO)(H)2	110.2980	1.634	6	110.2980	2.671	6	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[5]O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[5]O)(H)2	110.7850	2.090	3	110.7850	4.367	3	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	111.5977	1.778	6	110.5981	3.677	39	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	110.4163	1.911	33	110.5981	3.677	39	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CNO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CNO)(H)2	109.9006	2.110	8	110.0506	3.631	14	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CNO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CNO)(H)2	110.2505	1.768	6	110.0506	3.631	14	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(COO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|Br<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(COO)(H)2	109.2525	3.102	2	110.7388	3.182	25	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(COO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(COO)(H)2	109.7620	2.961	2	110.7388	3.182	25	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(COO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(COO)(H)2	111.2448	1.195	15	110.7388	3.182	25	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(COO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(COO)(H)2	110.2947	2.308	6	110.7388	3.182	25	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	C(C[3x6]C[6,6]3)(COO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(COO)(H)2	111.6670	0.000	1	111.6670	0.000	1	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]O)(H)2	108.7217	1.588	3	108.7217	2.521	3	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(CNO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CNO)(H)2	111.7362	0.619	4	111.7362	0.383	4	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(COO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(COO)(H)2	108.6192	1.849	8	108.6192	3.418	8	110.4058	3.560	104	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)2	110.5728	1.559	6	110.5728	2.432	6	110.5728	2.432	6	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(NCC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(NCC)(H)2	110.2363	2.642	3	110.2363	6.982	3	110.3577	3.713	9	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(NCuC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(NCuC)(H)2	110.4183	1.770	6	110.4183	3.134	6	110.3577	3.713	9	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	110.0305	2.651	4	110.0305	7.026	4	110.2390	4.387	6	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH)	C[6,6](C[3x6]C[6,6]2C)2(H)2	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CN[5]HH){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(N[5]C[5]2)(H)2	110.6560	0.578	2	110.6560	0.335	2	110.2390	4.387	6	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-3:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHP)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(PCC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(PCC)(H)2	110.7570	1.791	3	110.7570	3.208	3	110.7570	3.208	3	110.4107	3.446	128	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-3:C-2:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCCH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CBrC)(CN)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CBrC)(CN)(H)	110.0243	2.560	3	110.0243	6.553	3	110.0243	6.553	3	110.3939	3.079	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]HO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)(OH)(H)	110.5787	1.477	6	110.5787	2.183	6	110.5787	2.183	6	110.3939	3.079	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6a]-3:C[6a]-3:O-2:	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[6a]2O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(C[6a]C[6a]2)2(OH)	111.1973	2.452	3	111.1973	6.015	3	111.1973	6.015	3	111.1973	6.015	3	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	109.4275	2.272	2	109.4275	5.162	2	109.4275	5.162	2	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	110.6348	1.635	9	110.6348	2.674	9	110.6804	3.696	12	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CCHH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	110.8173	3.098	3	110.8173	9.595	3	110.6804	3.696	12	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(NH3)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(NH3)(H)2	110.2307	2.809	6	110.2307	7.892	6	110.2232	5.192	18	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(NPtHH)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(NPtHH)(H)2	110.2194	2.106	12	110.2194	4.437	12	110.2232	5.192	18	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHP)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(PIrCC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<2>,2|C<4>,7|H<1>}	C(C[3x6]C[6,6]3)(PIrCC)(H)2	110.0130	4.361	2	110.5261	9.896	26	110.5261	9.896	26	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHP)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(PIrCC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(PIrCC)(H)2	110.5689	3.147	24	110.5261	9.896	26	110.5261	9.896	26	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	C[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2{1|B<5>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]3)(CCHH)(H)2	111.6623	0.881	3	111.6623	0.775	3	111.6623	0.775	3	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5]-4:C[3x6]-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)3(CC[5]HH)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	C[3x6](C[6,6]C[6,6]HH)3(CC[5]HH){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	111.2207	3.926	3	111.2207	15.412	3	111.2207	15.412	3	110.5213	6.723	64	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:N-2:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	110.6727	2.489	3	110.6727	6.195	3	110.8774	3.665	18	110.7744	3.172	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:N-2:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	110.9184	1.885	15	110.9184	3.554	15	110.8774	3.665	18	110.7744	3.172	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si-4:O-2:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CSiHO)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSiHO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	110.4147	1.677	3	110.4147	2.813	3	110.4147	2.813	3	110.7744	3.172	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:Si[6]-4:O-2:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	C[3x6](C[6,6]C[3x6]HH)3(CSi[6]HO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	110.5160	1.460	3	110.5160	2.132	3	110.5160	2.132	3	110.7744	3.172	24	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCCH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CCHH)(COO)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CCHH)(COO)(H)	110.6837	1.773	3	110.6837	3.143	3	110.6837	3.143	3	110.9762	9.575	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:N-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	110.5747	1.676	6	110.5747	2.808	6	110.5272	3.341	12	110.9762	9.575	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:N-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	110.4798	2.130	6	110.4798	4.537	6	110.5272	3.341	12	110.9762	9.575	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(H)	111.4983	4.264	12	111.4983	18.180	12	111.4983	18.180	12	110.9762	9.575	27	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	C[3x6](C[6,6]C[3x6]HH)3(CC[3x6]C[6a]O){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)2(C[6a]C[6a]2)(OH)	112.1228	3.884	6	112.1228	15.082	6	112.1228	15.082	6	112.1228	15.082	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCCH)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	C[3x6](C[6,6]C[3x6]HH)3(CCCH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CCHH)2(H)	110.9283	1.083	3	110.9283	1.174	3	110.9283	1.174	3	110.9254	7.374	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:N-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	111.0310	3.644	3	111.0310	13.275	3	111.0310	13.275	3	110.9254	7.374	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N-4:C-4:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CCHN)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(NNiCH)(CH3)(H)	C[3x6](C[6,6]C[3x6]HH)3(CCHN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(NNiCH)(CH3)(H)	110.8170	3.874	3	110.8170	15.011	3	110.8170	15.011	3	110.9254	7.374	9	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:4:4:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C-4:C-4:O-2:	C[3x6](C[6,6]C[3x6]HH)3(CCCO)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	C[3x6](C[6,6]C[3x6]HH)3(CCCO){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	111.0805	0.964	6	111.0805	0.930	6	111.0805	0.930	6	111.0805	0.930	6	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	109.6730	1.236	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	109.6730	1.236	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-2:H-1:	C[3x6]-4:P-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)3(CHHP)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H)	C(C[3x6]C[6,6]3)(PIrCC)(H)2	C[3x6](C[6,6]C[3x6]HH)3(CHHP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(HIr)(H){2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(PIrCC)(H)2	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	111.1735	2.662	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]2C)2(OH)(H)	C(C[3x6]C[6,6]3)(CCHH)(H)2	C[3x6](C[6,6]C[3x6]HO)2(C[6,6]N[3x6]HH)(CCHH){5|C<4>}	C[6,6](C[3x6]C[6,6]2C)2(OH)(H){1|C<4>,1|N<3>,2|O<2>,6|H<1>}	C(C[3x6]C[6,6]3)(CCHH)(H)2	111.0828	1.669	12	111.0828	2.787	12	111.0828	2.787	12	111.1735	2.662	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-2:C-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CN)2{1|C<3>,1|C<4>,5|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.5572	0.199	4	111.5572	0.040	4	111.5572	0.040	4	111.0818	1.160	5	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:O-2:O-2:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	C(C[3x6]C[6,6]3)(H)3	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	111.0818	1.160	5	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	107.3960	0.000	1	107.8285	0.374	2	107.8285	0.374	2	109.4198	2.798	5	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	108.2610	0.000	1	107.8285	0.374	2	107.8285	0.374	2	109.4198	2.798	5	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	109.8800	0.461	2	109.8800	0.213	2	109.8800	0.213	2	109.4198	2.798	5	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	109.4198	2.798	5	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[3x6]C[3x6]C[6,6]2)(H)3	C[3x6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[3x6]C[3x6]C[6,6]2)(H)3	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6,6]HH)(C[6]N[6]HH)(H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,4|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	111.5250	0.383	2	111.4027	0.118	3	111.4027	0.118	3	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CH3){5|C<4>,9|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)3	111.1580	0.000	1	111.4027	0.118	3	111.4027	0.118	3	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3,6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H)	C(C[3x6]C[4x6]C[6,6]2)(H)3	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3x6]C[4x6]C[6,6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,5|H<1>}	C(C[3x6]C[4x6]C[6,6]2)(H)3	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[3x6]C[4x6]C[6,6]2)(H)3	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[3x6]C[4x6]C[6,6]2)(H)3	114.1160	0.000	1	114.1160	0.000	1	114.1160	0.000	1	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[3x6]C[6,6]3)(H)3	115.0490	0.000	1	115.0490	0.000	1	112.7503	3.963	3	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3){1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C(C[3x6]C[6,6]3)(H)3	111.6010	0.000	2	111.6010	0.000	2	112.7503	3.963	3	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	110.9440	0.000	1	110.9440	0.000	1	111.1450	0.067	3	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C(C[3x6]C[6,6]3)(H)3	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]3)(H)3	111.2455	0.272	2	111.2455	0.074	2	111.1450	0.067	3	111.5992	3.886	13	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6,6]	C	5:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-5:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P-4:H-1:H-1:	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(CHHP)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	C(C[3x6]C[6,6]3)(PIrCC)(H)2	C[3x6](C[6,6]C[3x6]IrLiH)(C[6,6]C[3x6]HH)2(CHHP){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	C(C[3x6]C[6,6]3)(PIrCC)(H)2	109.1290	1.417	2	109.1290	2.008	2	109.1290	2.008	2	109.1290	2.008	2	111.1367	4.084	1195	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[4x6]-4:N[6,6]-3:C[6]-4:C-4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[5,4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH)	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	C[3x6](C[5,4x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2{1|O<1>,5|C<4>}	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:2:3:1:	4:4:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:O[6]-2:C-3:H-1:	C[3x6]-4:C-4:H-1:H-1:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H)	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	111.4915	3.068	2	111.4915	9.413	2	111.4915	9.413	2	111.4915	9.413	2	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H)	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2	C(C[3x6]C[3x6]2C[6])(H)3	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[3x6]C[3x6]2C[6])(H)3	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.9270	0.058	2	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[3x6]C[4x6]C[6,6]C[6])(H)3	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	107.9270	0.058	2	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	106.5560	0.000	1	106.5560	0.000	1	106.5560	0.000	1	106.3815	6.134	8	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:Cl-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H)	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	106.3815	6.134	8	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[3x6]C[3x6]C[4x6]C[6])(H)3	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	106.3815	6.134	8	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2	C(C[3x6]C[5,4x6]C[3x6]C[6])(H)3	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,4|C<4>,9|H<1>}	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[3x6]C[5,4x6]C[3x6]C[6])(H)3	102.9640	0.000	1	102.9640	0.000	1	102.9640	0.000	1	106.3815	6.134	8	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[4x6]-4:C[6]-4:C-4:	C[3x6]-4:C[3,6]-4:H-1:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3)	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2	C(C[3x6]C[5,5,6,6]C[4x6]C[6])(H)3	C[3x6](C[5,5,6,6]C[3,5,6]C[3x5,6]C[5])(C[4x6]C[5,6,6]C[6,6]2)(C[6]C[3,6]HH)(CH3){1|C<3>,1|O<1>,3|H<1>,5|O<2>,6|C<4>}	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2{2|C<3>,5|C<4>}	C(C[3x6]C[5,5,6,6]C[4x6]C[6])(H)3	105.4762	0.668	4	105.4762	0.446	4	105.4762	0.446	4	106.3815	6.134	8	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,8|H<1>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:C-4:O[6]-2:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H){1|O<2>,2|H<1>,5|C<4>}	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	110.2400	0.000	1	110.3030	0.008	2	110.3030	0.008	2	110.3030	0.008	2	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[3x6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[3x6]C[6,6]C[6])(H)3	110.3660	0.000	1	110.3030	0.008	2	110.3030	0.008	2	110.3030	0.008	2	108.3806	6.754	19	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:2:4:	4:4:3:2:	4:1:1:1:	C[4x6]-4:C[3x6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	114.5365	0.217	2	114.5365	0.047	2	114.5365	0.047	2	114.5365	0.047	2	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:4:4:	4:2:3:3:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:O[6,6]-2:C[6]-3:C-3:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO)	C(C[4x6]C[3x6]2C[6,6])(H)3	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(C[6]C[6]Br)(CCO){1|O<2>,3|C<4>,4|H<1>}	C(C[4x6]C[3x6]2C[6,6])(H)3	113.9197	0.841	3	113.9197	0.707	3	113.9197	0.707	3	113.9197	0.707	3	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H)	C(C[4x6]C[3x6]2C[6,6])(H)3	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3){5|C<4>,7|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C(C[4x6]C[3x6]2C[6,6])(H)3	111.9030	0.000	1	111.9030	0.000	1	111.3800	0.280	4	111.5255	0.784	14	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C(C[4x6]C[3x6]2C[6,6])(H)3	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[4x6]C[3x6]2C[6,6])(H)3	111.2057	0.487	3	111.2057	0.237	3	111.3800	0.280	4	111.5255	0.784	14	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	112.0968	0.458	6	111.5837	1.027	10	111.5837	1.027	10	111.5255	0.784	14	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	110.2955	1.698	2	111.5837	1.027	10	111.5837	1.027	10	111.5255	0.784	14	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[3x6](C[4x6]C[4x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	111.3325	0.534	2	111.5837	1.027	10	111.5837	1.027	10	111.5255	0.784	14	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH)	C(C[4x6]C[3x6]2C[6,6])(H)3	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3){5|C<4>,7|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C(C[4x6]C[3x6]2C[6,6])(H)3	112.6010	0.000	1	112.6010	0.000	1	112.6010	0.000	1	112.6010	0.000	1	112.2395	1.997	20	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	3:4:3:4:	4:4:3:1:	4:1:1:1:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-3:C-4:	C[4x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3)	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H)	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[4x6](C[4x6]C[5a,6,6]C[3x6]C)(C[3x6]C[4x6]CH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[4x6]C[5a,6,6]C[3x6]C[4x6])(H)3	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	4:4:2:4:	3:4:4:2:	4:1:1:1:	C[4x6]-4:C[3x6]-4:O[6,6]-2:C-4:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	C[4x6](C[4x6]C[6,6,6a]C[3x6]O)(C[3x6]C[6,6a]C[3x6]O)(O[6,6]C[6,6])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[4x6]C[3x6]C[4x6]O[6,6])(H)3	109.3645	0.145	2	109.3645	0.021	2	109.3645	0.021	2	109.3645	0.021	2	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:C-4:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3)	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	4:4:4:4:	4:3:2:3:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-3:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	112.9100	0.971	6	112.9100	0.943	6	112.9100	0.943	6	112.9100	0.943	6	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	4:4:4:4:	4:3:2:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	112.7340	0.000	1	112.7340	0.000	1	114.0600	3.517	2	114.0600	3.517	2	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	4:4:4:4:	4:3:2:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-3:O[6,6]-2:C[6]-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6])(O[6,6]C[3x6])(C[6]C[6]HO){2|O<2>,5|C<4>,6|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	115.3860	0.000	1	115.3860	0.000	1	114.0600	3.517	2	114.0600	3.517	2	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:O[6,6]-2:C[6]-3:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O)	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[4x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(O[6,6]C[3x6])(C[6]C[6]O){5|C<4>,9|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	113.2000	0.396	2	113.2000	0.157	2	113.2000	0.157	2	113.2000	0.157	2	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[4x6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[4x6]-4:C[6,6]-4:H-1:	C[4x6]-4:O-2:H-1:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO)	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO){4|C<4>,7|H<1>}	C[4x6](C[4x6]C[4x6]C[6,6]C)(C[4x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H){5|C<4>,6|H<1>}	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	111.2680	1.135	4	111.2680	1.289	4	111.2680	1.289	4	111.2680	1.289	4	112.2337	2.606	18	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C(C[4x6]C[6,6]N[4x6]2)(H)3	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	108.8473	0.219	3	109.0497	0.196	4	109.0497	0.196	4	109.0497	0.196	4	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C(C[4x6]C[6,6]N[4x6]2)(H)3	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<4>,4|C<4>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	109.6570	0.000	1	109.0497	0.196	4	109.0497	0.196	4	109.0497	0.196	4	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:N[3x6]-4:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	C(C[4x6]C[6,6]N[4x6]2)(H)3	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,5|C<4>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	108.1905	0.509	6	108.1905	0.259	6	108.1905	0.259	6	108.1905	0.259	6	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	C(C[4x6]C[6,6]N[4x6]2)(H)3	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,5|H<1>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	111.5915	0.115	2	111.5915	0.013	2	111.5915	0.013	2	111.5915	0.013	2	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[3x6]-3:C-4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[5a,6,6]C[3x6]H)(C[6,6]C[6,6]HH)(C[3x6]C[4x6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[4x6]C[3x6]2C[6,6])(H)3	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]C[6,6]C[6]O)(C[6,6]C[6,6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[4x6]C[3x6]2C[6,6])(H)3	106.6460	0.000	1	106.6460	0.000	1	108.6052	1.942	4	108.7779	0.666	14	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	C(C[4x6]C[3x6]2C[6,6])(H)3	C[4x6](C[3x6]C[6,6]C[6]H)(C[3x6]O[6,6]C[6]C)(C[6,6]C[6,6]HH)(CH3){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[4x6]C[3x6]2C[6,6])(H)3	109.2583	0.594	3	109.2583	0.353	3	108.6052	1.942	4	108.7779	0.666	14	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	108.7820	0.717	6	108.8469	0.296	10	108.8469	0.296	10	108.7779	0.666	14	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	108.8960	0.095	2	108.8469	0.296	10	108.8469	0.296	10	108.7779	0.666	14	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[4x6]-4:H-1:H-1:H-1:	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	C[4x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[4x6]C[3x6]C[4x6]C[6,6])(H)3	108.9925	0.111	2	108.8469	0.296	10	108.8469	0.296	10	108.7779	0.666	14	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[4x6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:O-2:H-1:H-1:	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(CHHO){4|C<4>,7|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	C(C[4x6]C[4x6]2C[6,6])(OH)(H)2	107.6200	0.296	2	107.6200	0.087	2	107.6200	0.087	2	107.6200	0.087	2	108.9724	1.898	29	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H)	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5a,6]C[6,6a]C)(C[6,6]C[6]O[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[5a,6]C[6,6a]C[3x6])(H)3	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	3:4:2:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[3x6]-4:O[6]-2:C-4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3)	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(C[3x6]C[3x6]C[6]H)(O[6]C[6])(CH3){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[5a,6]O[6]C)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C(C[6,6]C[5a,6]C[3x6]O[6])(H)3	113.4570	0.173	2	113.4570	0.030	2	113.4570	0.030	2	113.4570	0.030	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	3:4:4:1:	4:4:3:4:	4:4:1:1:	N[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH)	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	115.1175	0.548	2	115.1175	0.300	2	115.1175	0.300	2	115.1175	0.300	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	3:4:4:4:	4:3:3:1:	4:3:1:1:	C[5a]-3:C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	109.8720	1.209	2	109.8720	1.462	2	109.8720	1.462	2	109.8720	1.462	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C(C[6,6]C[3x6]O[6,6]H)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[4x6]C[6])(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[3x6]O[6,6]H)(H)3	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H)	C(C[6,6]C[3x6]O[6,6]H)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(O[6,6]C[4x6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[4x6]HO)(C[6,6]O[6,6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[3x6]O[6,6]H)(H)3	116.3950	0.000	1	116.3950	0.000	1	116.3950	0.000	1	116.3950	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:O[6,6]-2:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	C(C[6,6]C[3x6]O[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]O[6,6]C)(H)3	113.0640	0.000	1	112.8083	0.049	3	112.8083	0.049	3	112.8083	0.049	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:O[6,6]-2:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H)	C(C[6,6]C[3x6]O[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2{3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]O[6,6]CC)(H){1|C<4>,4|H<1>}	C(C[6,6]C[3x6]O[6,6]C)(H)3	112.6805	0.019	2	112.8083	0.049	3	112.8083	0.049	3	112.8083	0.049	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:2:4:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH)	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]O)(O[6]O[6])(CH3){5|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	117.5912	1.094	5	117.5912	1.196	5	117.5912	1.196	5	117.5912	1.196	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:3:4:	4:3:3:1:	4:1:1:1:	C[3x6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3)	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H)	C(C[6,6]C[3x6]N[6]2)(H)3	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3){4|C<4>,4|H<1>}	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H){10|H<1>,3|C<4>}	C(C[6,6]C[3x6]N[6]2)(H)3	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H)	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|O<2>,4|H<1>,7|C<4>}	C[3x6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	115.5800	0.000	1	115.5800	0.000	1	115.5800	0.000	1	115.5800	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	3:4:4:1:	4:3:1:1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	114.5820	0.000	1	114.5820	0.000	1	114.5820	0.000	1	114.5820	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:3:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CHHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	114.1220	0.000	1	114.4460	0.210	2	114.4460	0.210	2	114.4460	0.210	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]O)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,2|O<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	114.7700	0.000	1	114.4460	0.210	2	114.4460	0.210	2	114.4460	0.210	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(C[6,6]C[3x6]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	112.2000	0.195	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]N[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(H)3	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	112.2000	0.195	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:F-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	116.0040	0.000	1	116.0040	0.000	1	116.0040	0.000	1	113.9774	1.545	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	113.4708	0.590	4	113.4708	0.349	4	113.4708	0.349	4	113.9774	1.545	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H)	C(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:1:	4:4:4:3:	4:3:1:1:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[5a]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO){1|O<2>,3|C<4>}	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	117.6485	0.814	2	117.6485	0.662	2	117.6485	0.662	2	117.6485	0.662	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:3:4:1:	4:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-3:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[3x6]C[6,6]O)(CCH)(H)2	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[3x6]C[6])(C[6,6]C[6,6]CO)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(CCH)(H)2	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	114.7150	0.000	1	114.7150	0.000	1	112.9003	2.497	3	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	111.8280	0.000	1	111.8280	0.000	1	112.9003	2.497	3	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	112.1580	0.000	1	112.1580	0.000	1	112.9003	2.497	3	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	111.8040	0.000	1	111.8040	0.000	1	111.8040	0.000	1	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:Cl-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	115.0780	0.000	1	114.8580	0.097	2	114.8580	0.097	2	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:Cl-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(Cl)(H)2	114.6380	0.000	1	114.8580	0.097	2	114.8580	0.097	2	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	115.3655	1.176	2	114.7630	1.131	4	114.7630	1.131	4	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CH3)(OC){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	114.1605	0.747	2	114.7630	1.131	4	114.7630	1.131	4	113.9273	2.298	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(OC)(H)2	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	112.8110	0.000	1	112.8110	0.000	1	112.4095	0.322	2	112.4095	0.322	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:2:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	112.0080	0.000	1	112.0080	0.000	1	112.4095	0.322	2	112.4095	0.322	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:3:	4:4:4:4:	4:3:1:1:	C[3x6]-4:C[6,6]-3:C-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]C)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]O)(CCHH)(CCO){3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3){1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(CCH)(H)2	112.3910	0.000	2	112.3910	0.000	2	112.3910	0.000	2	112.3910	0.000	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:4:	4:3:3:1:	4:2:1:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	106.1480	0.000	1	106.1480	0.000	1	106.1480	0.000	1	106.1480	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6,6]C[3x6]2C)(H)3	109.2875	0.346	2	109.2875	0.120	2	109.2875	0.120	2	109.2875	0.120	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:4:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6]-4:C-4:	C[3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:2:4:	4:4:3:2:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[3x6]-4:C[6]-3:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3)	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6])	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]O)(O[6]C[6]){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	115.0520	0.000	1	115.0520	0.000	1	115.0520	0.000	1	115.0520	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	120.2600	0.000	1	120.2600	0.000	1	115.4500	18.539	4	115.4500	18.539	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	117.8710	0.000	1	117.8710	0.000	1	115.4500	18.539	4	115.4500	18.539	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|S<3>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	111.8345	0.689	2	111.8345	0.475	2	115.4500	18.539	4	115.4500	18.539	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	3:4:3:1:	4:4:2:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	111.3190	0.137	2	111.3190	0.019	2	111.3190	0.019	2	111.3190	0.019	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	3:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	110.2260	0.000	1	110.2260	0.000	1	110.2260	0.000	1	110.2260	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3){1|N<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	3:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:3:2:2:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:O[6]-2:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3){3|C<4>,4|C<3>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6]){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.9690	1.031	2	111.9690	1.063	2	111.9690	1.063	2	111.9690	1.063	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH)	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[6a]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	107.5800	1.288	2	107.5800	1.660	2	107.5800	1.660	2	107.5800	1.660	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2)(CH3){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	112.7640	0.957	2	112.7640	0.917	2	112.7640	0.917	2	112.7640	0.917	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|O<1>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	114.6806	3.250	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	114.6806	3.250	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	114.8500	0.000	1	114.8500	0.000	1	115.7453	0.639	3	114.6806	3.250	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|O<1>,1|S<3>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	116.1930	0.276	2	116.1930	0.076	2	115.7453	0.639	3	114.6806	3.250	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2C)(NCH)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CHHN){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(NCH)(H)2	111.1410	2.435	2	111.1410	5.931	2	111.1410	5.931	2	111.1410	5.931	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(CCHH)(H)2	111.4698	1.495	4	111.4698	2.236	4	111.4698	2.236	4	111.5546	1.532	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH)	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH){4|C<4>,4|H<1>}	C[3x6](C[3x6]C[3,6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	113.2760	0.000	1	113.2760	0.000	1	113.2760	0.000	1	111.5546	1.532	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	111.3450	0.089	2	111.0940	0.193	3	111.0940	0.193	3	111.5546	1.532	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	110.5920	0.000	1	111.0940	0.193	3	111.0940	0.193	3	111.5546	1.532	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6])	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6]){3|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	110.8465	1.102	4	110.8465	1.215	4	111.2048	0.923	8	111.2048	0.923	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.7155	0.655	2	111.5630	0.597	4	111.2048	0.923	8	111.2048	0.923	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	112.2070	0.000	1	111.5630	0.597	4	111.2048	0.923	8	111.2048	0.923	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	110.6140	0.000	1	111.5630	0.597	4	111.2048	0.923	8	111.2048	0.923	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:3:4:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N[5]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	113.1408	2.154	14	113.1408	4.639	14	113.1408	4.639	14	113.1408	4.639	14	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:N-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	111.9983	0.969	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:P-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(PPdCC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(PPdCC)(H)2	111.4350	0.187	2	111.4350	0.035	2	111.4350	0.035	2	111.9983	0.969	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:4:2:4:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[3x6]2H)(OH)(H)2	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[3x6]2H)(OH)(H)2	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	3:4:4:1:	4:4:3:1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:C-3:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(CCCH)(H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(H)	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:2:2:4:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3x6]2H)(H)3	114.1430	0.000	1	114.1430	0.000	1	113.8330	0.192	2	113.8330	0.192	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:2:2:4:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)(O[6,6]C[3x6])2(CCHH){1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3x6]2H)(H)3	113.5230	0.000	1	113.5230	0.000	1	113.8330	0.192	2	113.8330	0.192	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.8880	0.031	2	112.8880	0.001	2	112.8880	0.001	2	112.8880	0.001	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:2:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O[6,6]-2:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[3x6](C[6,6]C[5,6,6]HO)(O[6,6]C[5,5,6,6])(C[6,6]C[6,6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	113.3240	0.000	1	113.3240	0.000	1	113.3240	0.000	1	113.3240	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:3:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	113.0240	0.000	1	113.0240	0.000	1	113.1585	0.036	2	113.1585	0.036	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(H){1|C<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	113.2930	0.000	1	113.2930	0.000	1	113.1585	0.036	2	113.1585	0.036	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:3:3:4:	4:4:2:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CCHH){2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:3:3:4:	4:4:4:1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]O)(C[6,6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	115.0940	0.000	1	115.0940	0.000	1	115.0940	0.000	1	115.0940	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[3x6]-3:C[6]-4:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO)	C(C[6,6]C[3x6]C[4x6]H)(H)3	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>,5|O<2>}	C[3x6](C[6,6]C[4x6]CH)(C[3x6]C[6,6]2)(C[6]C[6,6]HO)(C[6]O[6]HO){1|H<1>,3|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[4x6]H)(H)3	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C(C[6,6]C[3x6]2H)(H)3	111.0740	0.000	1	110.7570	0.201	2	111.7245	1.521	4	112.1920	1.710	6	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|O<2>,2|C<4>,2|O<1>}	C(C[6,6]C[3x6]2H)(H)3	110.4400	0.000	1	110.7570	0.201	2	111.7245	1.521	4	112.1920	1.710	6	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H){2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H){3|C<4>,3|O<2>}	C(C[6,6]C[3x6]2H)(H)3	113.2480	0.000	1	113.2480	0.000	1	111.7245	1.521	4	112.1920	1.710	6	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(H){3|C<4>,3|O<2>}	C(C[6,6]C[3x6]2H)(H)3	112.1360	0.000	1	112.1360	0.000	1	111.7245	1.521	4	112.1920	1.710	6	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(O[6,6]C[5,6,6])(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	113.1270	1.168	2	113.1270	1.365	2	113.1270	1.365	2	112.1920	1.710	6	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	113.1080	0.000	1	113.1080	0.000	1	113.1080	0.000	1	113.1080	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(CH3)(H){2|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH){1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3x6]2H)(H)3	116.0840	0.000	1	116.0840	0.000	1	112.8785	10.652	4	112.8785	10.652	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]2H)(H)3	110.0660	0.078	2	110.0660	0.006	2	112.8785	10.652	4	112.8785	10.652	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]O[6,6]2C)(CH3)(H){1|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH){1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3x6]2H)(H)3	115.2980	0.000	1	115.2980	0.000	1	112.8785	10.652	4	112.8785	10.652	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:3:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	113.0660	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.2430	0.009	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H)	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	113.3090	0.000	1	113.3090	0.000	1	113.3090	0.000	1	113.2430	0.009	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:2:4:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CCHH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,5,6,6]C[5]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(H)3	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	111.3732	0.618	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[3x6](C[5,6,6]N[5,6,6]C[6a]O[5])(C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	111.3732	0.618	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	110.3650	0.000	1	110.3650	0.000	1	111.1605	1.266	2	111.3732	0.618	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	111.9560	0.000	1	111.9560	0.000	1	111.1605	1.266	2	111.3732	0.618	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<3>,4|H<1>}	C(C[6,6]C[3x6]2H)(OH)(H)2	113.6790	0.000	1	112.8290	1.445	2	112.8290	1.445	2	112.8931	1.786	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]2H)(OH)(H)2	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6,6]C[3x6]2H)(OH)(H)2	111.9790	0.000	1	112.8290	1.445	2	112.8290	1.445	2	112.8931	1.786	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)2(C[6,6]C[6,6]H)(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	113.0362	1.367	4	113.0362	1.868	4	112.6388	2.191	5	112.8931	1.786	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.0490	0.000	1	111.0490	0.000	1	112.6388	2.191	5	112.8931	1.786	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]C)(H){1|N<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(OH)(H)2	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	112.8931	1.786	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	113.6710	0.000	1	114.0150	0.237	2	114.0150	0.237	2	114.0150	0.237	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	114.3590	0.000	1	114.0150	0.237	2	114.0150	0.237	2	114.0150	0.237	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	113.1859	2.299	11	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	116.0420	0.000	1	113.4540	3.075	4	113.4440	1.968	9	113.1859	2.299	11	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	112.4100	0.311	2	113.4540	3.075	4	113.4440	1.968	9	113.1859	2.299	11	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	112.9540	0.000	1	113.4540	3.075	4	113.4440	1.968	9	113.1859	2.299	11	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	113.4613	1.473	4	113.4360	1.631	5	113.4440	1.968	9	113.1859	2.299	11	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	113.3350	0.000	1	113.4360	1.631	5	113.4440	1.968	9	113.1859	2.299	11	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H)	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[3x6]O[5])(C[3x6]C[6,6]2H)(CCHH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	113.1859	2.299	11	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6])	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){1|H<1>,3|C<3>,4|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2H)(H)3	114.5040	0.000	1	114.5040	0.000	1	114.5040	0.000	1	114.5040	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H){2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]C[3x6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]2H)(H)3	116.4365	3.997	2	116.4365	15.978	2	116.4365	15.978	2	114.4366	2.886	12	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<4>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]B)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	114.1111	0.907	8	114.1111	0.822	8	114.0366	0.686	10	114.4366	2.886	12	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|Se<1>,1|N<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6]Se)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	113.4280	0.000	1	113.4280	0.000	1	114.0366	0.686	10	114.4366	2.886	12	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]O[6,6]HO)(C[6,6]C[6,6]H)(CCHH){1|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	114.0490	0.000	1	114.0490	0.000	1	114.0366	0.686	10	114.4366	2.886	12	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|Si<4>,1|C<4>,4|H<1>}	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:3:4:	4:4:2:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3x6](C[5,6,6]C[6,6]O[5]2)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CCHH){3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	116.8435	0.913	4	116.8435	0.833	4	116.8435	0.833	4	116.8435	0.833	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)(H){2|O<1>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]2H)(H)3	113.4115	0.217	2	113.4115	0.047	2	113.4115	0.047	2	113.6284	25.512	9	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	121.3540	0.000	1	121.3540	0.000	1	121.3540	0.000	1	113.6284	25.512	9	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|N<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	113.6284	25.512	9	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	113.6284	25.512	9	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pd<4>,3|C<4>,3|H<1>}	C[3x6](P[6,6]C[6,6]PdC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	110.8570	0.182	2	110.8570	0.033	2	110.4940	0.580	4	113.6284	25.512	9	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	P[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pt<4>,3|C<4>,3|H<1>}	C[3x6](P[6,6]C[6,6]PtC)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	110.1310	1.086	2	110.1310	1.180	2	110.4940	0.580	4	113.6284	25.512	9	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,3x6]C[5]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	114.7980	0.000	1	114.7980	0.000	1	114.7980	0.000	1	114.7980	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C(C[6,6]C[3x6]2H)(CCHH)(H)2	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|O<1>,3|H<1>,5|C<4>}	C(C[6,6]C[3x6]2H)(CCHH)(H)2	111.0740	0.000	2	111.0740	0.000	2	111.5340	0.635	3	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	112.4540	0.000	1	112.4540	0.000	1	111.5340	0.635	3	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:Cl-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){1|B<4>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	115.3350	0.516	2	115.1813	0.122	4	115.1443	0.079	6	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	115.0275	0.060	2	115.1813	0.122	4	115.1443	0.079	6	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	114.9840	0.000	1	114.9840	0.000	1	115.1443	0.079	6	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	115.1570	0.000	1	115.1570	0.000	1	115.1443	0.079	6	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	113.0060	0.000	1	113.0060	0.000	1	113.0060	0.000	1	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	113.6930	0.000	1	113.6930	0.000	1	114.1555	0.428	2	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	114.6180	0.000	1	114.6180	0.000	1	114.1555	0.428	2	113.7318	2.788	13	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	113.9690	0.000	1	113.9690	0.000	1	113.9690	0.000	1	113.9690	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6])	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[3x6]C[6,6]O[6,6]H)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6]){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2H)(H)3	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	113.1808	2.140	4	113.1808	4.579	4	113.1808	4.579	4	113.1808	4.579	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6,6]-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6])	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6]C[6]O[6]H)(O[6,6]C[6,6]){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	114.8440	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO){1|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	117.0620	0.000	1	117.0620	0.000	1	117.1665	0.022	2	117.1665	0.022	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3x6](C[6,6]C[3,6,6]CH)(C[6,6]N[6,6]CH)(C[6,6]O[6,6]HH)(COO){1|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	117.2710	0.000	1	117.2710	0.000	1	117.1665	0.022	2	117.1665	0.022	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2	C(C[6,6]C[3x6]2H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C(C[6,6]C[3x6]2H)(H)3	117.0965	0.589	2	117.0965	0.347	2	117.0965	0.347	2	116.2726	0.690	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]B[6,6]N[6,6]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	115.6380	0.000	1	115.6380	0.000	1	115.7233	0.075	3	116.2726	0.690	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]N[6,6]B[5a]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	115.7660	0.372	2	115.7660	0.138	2	115.7233	0.075	3	116.2726	0.690	5	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3)	C(C[6,6]C[3x6]2H)(COO)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[4x6]C[3x6]O[6,6]O)(C[6,6]C[3,6,6]C[6]H)(C[6,6]C[3x6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C(C[6,6]C[3x6]2H)(COO)(H)2	113.0900	0.000	1	113.0900	0.000	1	113.0900	0.000	1	113.3760	0.164	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3)	C(C[6,6]C[3x6]2H)(COO)(H)2	C[6,6](C[3x6]C[4x6]C[6,6]C)(C[3x6]C[6,6]2C)(CCHH)(H){3|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[3x6]HO)(C[6,6]O[6,6]HH)(CH3){1|H<1>,4|C<4>}	C(C[6,6]C[3x6]2H)(COO)(H)2	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	113.3760	0.164	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[3x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3)	C(C[6,6]C[3x6]2H)(CCHH)(H)2	C[6,6](C[3x6]C[4x6]Si[6]H)(C[3x6]C[6,6]2C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(CH3){1|Si<4>,1|C<4>,1|O<1>,3|H<1>}	C(C[6,6]C[3x6]2H)(CCHH)(H)2	116.9940	0.000	2	116.9940	0.000	2	116.9940	0.000	2	116.9940	0.000	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	3:4:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	S[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C[3x6](S[6,6]C[6,6]C[6a])(C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	114.1520	0.095	2	114.1520	0.009	2	114.1520	0.009	2	114.1520	0.009	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	4:3:2:2:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-3:O[6,6]-2:O-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi)	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CO)(C[6,6]C[6,6]H)(O[6,6]O[6,6])(OSi){2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	112.5760	3.215	2	112.5760	10.333	2	112.5760	10.333	2	112.5760	10.333	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H)	C(C[6,6]C[3x6]2O)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH){2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[3x6]2O)(H)3	111.5960	0.074	2	111.5960	0.005	2	111.5960	0.005	2	111.5960	0.005	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]O)(H){2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	111.2685	0.200	2	111.2685	0.040	2	111.2685	0.040	2	111.2685	0.040	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]CO)(C[6,6]C[6,6]HH)(H){2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	112.3853	0.388	3	112.3853	0.150	3	112.3853	0.150	3	112.4912	0.145	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[5,3x6]HH)(C[6,6]C[5,6,6]HO)(C[6,6]C[6,6]CO)(H){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	112.4912	0.145	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2O)(OC)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CHHO)(OC){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2O)(OC)(H)2	112.7840	0.904	2	112.7840	0.817	2	112.7840	0.817	2	112.7840	0.817	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2O)(CCH)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2O)(CCH)(H)2	112.5147	1.682	8	112.5147	2.830	8	112.5147	2.830	8	112.5147	2.830	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	3:3:4:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C-3:C-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO){1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	3:3:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO){1|N<3>,2|C<3>,2|C<4>}	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	4:3:3:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Br-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(Br){2|C<4>,2|H<1>}	C(C[6,6]C[3x6]2C)(H)3	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	110.0747	1.385	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	4:3:3:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6,6]C[3x6]2C)(H)3	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	110.0747	1.385	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	4:3:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl){1|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	110.0747	1.385	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	4:3:3:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2Br)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]2C)(H)3	113.8650	0.000	1	113.8650	0.000	1	114.3370	0.446	2	114.3370	0.446	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-3:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CH3)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[3x6]2C)(H)3	114.8090	0.000	1	114.8090	0.000	1	114.3370	0.446	2	114.3370	0.446	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:3:	4:4:4:1:	4:3:3:1:	C[3x6]-4:C[3x6]-4:C-4:O-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CCCH)(OLi2)	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2O)(CCN)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CCCH)(OLi2){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CO)(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2O)(CCN)2(H)	109.7193	0.166	12	109.7193	0.028	12	109.7193	0.028	12	109.7193	0.028	12	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	108.8640	0.000	1	108.7861	2.524	7	108.7861	2.524	7	108.7861	2.524	7	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	110.3340	2.738	2	108.7861	2.524	7	108.7861	2.524	7	108.7861	2.524	7	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	107.7980	0.000	1	108.7861	2.524	7	108.7861	2.524	7	108.7861	2.524	7	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	108.4250	0.000	1	108.7861	2.524	7	108.7861	2.524	7	108.7861	2.524	7	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	107.8740	0.279	2	108.7861	2.524	7	108.7861	2.524	7	108.7861	2.524	7	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:3:1:	4:4:2:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	108.5397	0.090	3	108.5397	0.008	3	108.5397	0.008	3	108.5397	0.008	3	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	110.2027	1.380	16	110.2027	1.904	16	110.2027	1.904	16	110.2027	1.904	16	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6])	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.5550	0.000	1	111.5550	0.000	1	111.1230	0.373	2	111.1230	0.373	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	110.6910	0.000	1	110.6910	0.000	1	111.1230	0.373	2	111.1230	0.373	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:2:3:3:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6,6]-2:C[6,6]-3:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]C)(O[6,6]C[5,6,6])(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]C)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	108.5260	0.710	2	108.5260	0.504	2	108.5260	0.504	2	108.5260	0.504	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2H)2(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(H){1|H<1>,5|C<4>}	C(C[6,6]C[3x6]2C)(H)3	109.4940	0.768	4	109.4940	0.591	4	109.4940	0.591	4	109.4940	0.591	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:3:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]N)(C[6,6]N[6,6]O)(CN){1|C<2>,1|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.3425	0.294	4	109.3425	0.086	4	109.3425	0.086	4	109.3425	0.086	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:3:3:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)(C[6,6]C[4x6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]2C)(H)3	111.1205	0.828	4	111.1205	0.686	4	111.2327	0.579	8	111.2327	0.579	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:3:3:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]2C)(H)3	111.3080	1.370	2	111.3450	0.631	4	111.2327	0.579	8	111.2327	0.579	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:3:3:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]2C)(H)3	111.3820	0.103	2	111.3450	0.631	4	111.2327	0.579	8	111.2327	0.579	8	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:3:4:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]O)2(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]2C)(H)3	110.6595	1.703	2	110.6595	2.902	2	110.6595	2.902	2	110.6595	2.902	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	110.5190	1.755	2	110.5190	3.080	2	110.5190	3.080	2	110.5190	3.080	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	108.6290	3.028	2	108.6290	9.168	2	108.6290	9.168	2	108.6290	9.168	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2{4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){2|C<4>,5|H<1>}	C(C[6,6]C[3x6]2C)(H)3	110.1070	1.967	2	110.1070	3.870	2	110.1070	3.870	2	110.1070	3.870	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H)	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	109.5820	1.659	4	109.5820	2.751	4	109.5820	2.751	4	109.7063	1.861	6	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(H){2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.9550	0.931	2	109.9550	0.866	2	109.9550	0.866	2	109.7063	1.861	6	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	111.5520	1.619	4	111.5520	2.622	4	111.5520	2.622	4	111.5520	2.622	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C(C[6,6]C[3x6]2C)(H)3	110.4073	0.573	4	110.4073	0.328	4	110.4073	0.328	4	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,4|H<1>}	C(C[6,6]C[3x6]2C)(H)3	112.2065	3.153	2	111.8560	6.226	4	111.7142	5.540	6	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HO)(H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]2C)(H)3	111.5055	2.872	2	111.8560	6.226	4	111.7142	5.540	6	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[4x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2{4|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]2C)(H)3	111.4305	2.963	2	111.4305	8.782	2	111.7142	5.540	6	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2{4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	109.4965	0.617	2	109.4965	0.381	2	110.7364	1.817	14	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(H){2|C<4>,4|C<3>}	C(C[6,6]C[3x6]2C)(H)3	110.1840	0.746	4	110.1840	0.556	4	110.7364	1.817	14	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]C[3]H)(C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C(C[6,6]C[3x6]2C)(H)3	110.2525	0.064	2	110.2525	0.004	2	110.7364	1.817	14	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|H<1>,2|N<3>,3|C<4>}	C(C[6,6]C[3x6]2C)(H)3	109.9695	1.085	2	109.9695	1.178	2	110.7364	1.817	14	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2H)2(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]2C)(H)3	112.5343	0.712	4	112.5343	0.507	4	110.7364	1.817	14	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C[5]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Cr)(CH3)	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2C[5])(H)3	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2Cr)(CH3){10|H<1>,4|C<4>}	C[3x6](C[6,6]C[3x6]C[5]C)(C[6,6]C[3x6]HH)2(H){1|Cr<8>,3|H<1>,5|C<4>}	C(C[6,6]C[3x6]2C[5])(H)3	111.0880	0.195	2	111.0880	0.038	2	111.0880	0.038	2	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pd<4>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.7632	1.899	4	109.8306	2.631	10	109.8306	2.631	10	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){1|Pt<4>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.8720	1.424	4	109.8306	2.631	10	109.8306	2.631	10	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.8825	2.597	2	109.8306	2.631	10	109.8306	2.631	10	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	111.6797	1.196	4	111.6797	1.431	4	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.5640	0.000	1	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.5700	0.000	1	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.3100	0.000	1	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<1>,4|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	111.6280	0.000	1	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|C<3>,5|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	111.6668	0.288	4	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	111.9340	0.402	5	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,1|C<3>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.0140	0.000	1	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){10|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.7750	0.000	1	112.2799	0.613	15	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(H){1|O<2>,5|C<4>,9|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.8770	0.071	2	112.8770	0.005	2	112.2224	0.748	21	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	114.1670	0.000	1	113.2830	1.563	2	113.2830	1.563	2	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(H){10|H<1>,1|N<4>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.3990	0.000	1	113.2830	1.563	2	113.2830	1.563	2	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){10|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	114.0950	0.528	2	114.1612	0.326	4	114.1612	0.326	4	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[3x6](C[5,6,6]C[5,6]O[5,6]H)(C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(H){11|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	114.2275	0.825	2	114.1612	0.326	4	114.1612	0.326	4	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<2>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	112.5870	0.000	1	112.4170	0.058	2	112.0497	0.434	3	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	112.2470	0.000	1	112.4170	0.058	2	112.0497	0.434	3	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3){3|C<4>,5|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.3150	0.000	1	111.3150	0.000	1	112.0497	0.434	3	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|Cl<1>,4|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.0970	0.000	1	111.0970	0.000	1	111.0970	0.000	1	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)2(H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	114.1910	0.000	1	114.1910	0.000	1	114.0480	7.913	5	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	116.2370	0.000	1	115.7675	0.441	2	114.0480	7.913	5	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]O[6]O)(C[6,6]C[6]2C)2(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	115.2980	0.000	1	115.7675	0.441	2	114.0480	7.913	5	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)2(H){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.1860	0.000	1	109.1860	0.000	1	114.0480	7.913	5	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3)	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(C[6,6]C[6]2C)(H){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	115.3280	0.000	1	115.3280	0.000	1	114.0480	7.913	5	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[3x6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[3x6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	115.2760	0.000	1	115.2760	0.000	1	115.2760	0.000	1	111.7171	3.576	73	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:2:2:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-2:C-2:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2C)(CN)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|F<1>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]2C)(CN)2(H)	108.4790	1.645	2	108.4790	2.705	2	108.4790	2.705	2	108.4790	2.705	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H)	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH){2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(H){1|F<1>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	111.3610	2.976	2	111.3610	8.854	2	111.3610	8.854	2	111.3610	8.854	2	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH)	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	111.6050	0.000	1	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2{4|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	C(C[6,6]C[3x6]2C)(H)3	112.6210	1.222	2	112.6210	1.493	2	112.6210	1.493	2	112.2892	0.592	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3)	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH)	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>,4|O<2>}	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	112.2560	0.047	2	112.2560	0.002	2	112.2560	0.002	2	112.2892	0.592	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){2|O<2>,5|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.0970	0.000	1	112.4483	0.096	3	112.4483	0.096	3	112.2892	0.592	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){1|O<2>,5|C<4>,9|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.6240	0.083	2	112.4483	0.096	3	112.4483	0.096	3	112.2892	0.592	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3,6,6]HH)(OSi){10|H<1>,1|C<3>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	111.1990	0.000	1	111.1990	0.000	1	111.1990	0.000	1	112.2892	0.592	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6])	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[6]2C)2(C[6]C[6]HH)(O[6]C[6,6]){3|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	113.3350	0.000	1	113.3350	0.000	1	112.2970	2.155	2	112.2892	0.592	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3)	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.2590	0.000	1	111.2590	0.000	1	112.2970	2.155	2	112.2892	0.592	10	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH)	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH){1|N<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]2C)(H)3	112.6995	0.551	2	112.6995	0.303	2	112.6995	0.303	2	112.1055	0.816	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[3x6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[5,6,6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO)	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)(COO){1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	111.5115	0.856	2	111.5115	0.733	2	111.5115	0.733	2	112.1055	0.816	4	112.3129	6.069	432	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:2:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:O[6,6]-2:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-3:C[6,6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH)	C(C[6,6]C[4x6]O[6,6]H)(H)3	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[3x6])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]O[6]H)(C[3x6]C[3x6]C[6])(C[6,6]O[6,6]CH){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[4x6]O[6,6]H)(H)3	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:O[6,6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>,6|C<4>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C[6]-3:C-4:	C[5x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H)	C(C[6,6]C[4x6]C[6]2)(H)3	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[4x6](C[5x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HO)(C[6,6]C[6]2C)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6]2)(H)3	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:N[3x6]-3:C[6,6]-4:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H)	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|H<1>,4|C<4>}	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:3:4:3:	4:1:1:1:	C[4x6]-4:C[3x6]-4:C-4:H-1:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H)	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O)	C(C[6,6]C[3x6]C[4x6]H)(H)3	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[3x6]C[6]2)(CH3)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>,5|O<2>}	C[4x6](C[6,6]C[6,6]O[6]H)(C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(C[6]O[6]O){1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[3x6]C[4x6]H)(H)3	111.8780	0.000	1	111.8780	0.000	1	111.8780	0.000	1	111.8780	0.000	1	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	111.2770	0.139	2	111.2770	0.019	2	111.2770	0.019	2	111.3033	0.012	3	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	111.3033	0.012	3	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6,6a]H)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	111.7180	0.000	1	111.7180	0.000	1	111.9865	0.144	2	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H)	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(CH3)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[4x6](C[5,3x6]C[5,5,6,6]C[5,6]O)(C[6,6]C[5,6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[4x6]H)(H)3	112.2550	0.000	1	112.2550	0.000	1	111.9865	0.144	2	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	112.3925	0.296	2	112.7416	0.179	5	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	112.8415	0.342	2	112.7416	0.179	5	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	113.2400	0.000	1	112.7416	0.179	5	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	112.5000	0.000	1	112.6210	0.029	2	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	112.7420	0.000	1	112.6210	0.029	2	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	113.2750	0.135	3	112.6843	1.408	4	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	110.9120	0.000	1	112.6843	1.408	4	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6a]C[5,6,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	112.5170	0.000	1	112.5170	0.000	1	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	113.1890	0.310	3	113.1890	0.096	3	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]O)(C[6,6]C[6,6]CH)(C[6,6]O[6,6]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	113.4580	0.000	1	113.4580	0.000	1	112.8268	0.417	16	112.7334	0.450	18	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:2:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|H<1>,6|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	114.1100	0.000	1	114.1100	0.000	1	112.4825	3.101	4	112.4825	3.101	4	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:2:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H)	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]2H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6]C[6]HH){5|C<4>,6|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	111.9400	1.699	3	111.9400	2.886	3	112.4825	3.101	4	112.4825	3.101	4	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:3:	4:3:2:3:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C-4:C-3:	C[6,6]-4:C[3x6]-3:O[6,6]-2:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO)	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O)	C(C[6,6]C[5,6,6]C[4x6]C)(H)3	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[6,6]C[5,6,6]CC)(C[3x6]C[6,6]C[6])(O[6,6]C[5,6,6])(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[4x6]C)(H)3	111.7410	0.116	2	111.7410	0.013	2	111.7410	0.013	2	111.7410	0.013	2	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2{10|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	107.8420	0.000	1	107.7510	0.212	3	107.7510	0.212	3	107.7510	0.212	3	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3x6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[4x6](C[6,6]C[5,6,6]C[6]C)(C[3x6]C[6,6]C[6])(C[6,6]C[6,6]HH)2{10|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	107.7055	0.641	2	107.7510	0.212	3	107.7510	0.212	3	107.7510	0.212	3	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[4x6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:O[6,6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,6|H<1>,7|C<4>}	C[4x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6]){1|Cl<1>,1|O<1>,5|C<4>,7|H<1>}	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	111.8188	3.509	36	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2	C(C[6,6]C[6,6a]2C[6,6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,3|O<2>,4|C<3>}	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2{4|C<3>}	C(C[6,6]C[6,6a]2C[6,6])(H)3	109.4730	0.000	1	109.4730	0.000	1	109.3630	0.024	2	109.3630	0.024	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2	C(C[6,6]C[6,6a]2C[6,6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2{6|C<3>}	C(C[6,6]C[6,6a]2C[6,6])(H)3	109.2530	0.000	1	109.2530	0.000	1	109.3630	0.024	2	109.3630	0.024	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6a]O[6]H)(C[6]O[6]HH)(H){6|C<3>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	108.6130	0.000	1	108.6130	0.000	1	109.2650	0.850	3	109.2650	0.850	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	110.3200	0.000	1	109.5910	1.063	2	109.2650	0.850	3	109.2650	0.850	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C(C[6,6]C[5a,6]C[6,6a]C[6,6])(H)3	108.8620	0.000	1	109.5910	1.063	2	109.2650	0.850	3	109.2650	0.850	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	114.9316	0.513	5	114.9316	0.263	5	114.9316	0.263	5	114.9316	0.263	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	3:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	3:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	112.7870	0.000	1	112.7870	0.000	1	112.7870	0.000	1	112.7870	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(CC[6a]O)(H){1|O<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6a]O[6]H)(COO)(H){1|O<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	112.8720	0.441	2	112.8720	0.195	2	112.8720	0.195	2	111.7653	3.771	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:3:1:	4:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H){1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	111.7653	3.771	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1790	0.000	1	115.2590	1.150	3	114.6512	4.141	11	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.7990	0.742	2	115.2590	1.150	3	114.6512	4.141	11	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.0115	1.009	2	115.5544	0.903	5	114.6512	4.141	11	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.0050	0.000	1	115.5544	0.903	5	114.6512	4.141	11	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	116.3720	0.604	2	115.5544	0.903	5	114.6512	4.141	11	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2160	0.146	2	114.2160	0.021	2	114.6512	4.141	11	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1820	0.000	1	109.1820	0.000	1	114.6512	4.141	11	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	114.6304	3.770	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-3:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	110.4190	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	108.2410	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0410	0.304	3	111.0410	0.092	3	111.0410	0.092	3	111.0338	0.752	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	111.0338	0.752	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.2560	0.096	2	110.2560	0.009	2	110.2560	0.009	2	111.0338	0.752	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2{2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	107.8477	1.136	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	107.2630	0.000	1	107.2630	0.000	1	107.2325	0.002	2	107.8477	1.136	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	107.2020	0.000	1	107.2020	0.000	1	107.2325	0.002	2	107.8477	1.136	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5a]-3:C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|H<1>,5|C<3>}	C(C[6,6]C[3x6]C[6,6]C[5a])(CCH)(H)2	109.5450	1.102	2	109.5450	1.214	2	109.5450	1.214	2	109.5450	1.214	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:2:2:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	112.0860	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:2:4:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	111.8840	0.000	1	111.8840	0.000	1	111.8840	0.000	1	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6390	0.612	2	109.6390	0.375	2	111.9962	5.124	5	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4510	0.000	1	114.4510	0.000	1	111.9962	5.124	5	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6620	0.000	1	113.1260	0.431	2	111.9962	5.124	5	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5900	0.000	1	113.1260	0.431	2	111.9962	5.124	5	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.1840	0.000	1	114.1840	0.000	1	111.5592	3.108	9	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.5560	0.000	1	108.5560	0.000	1	111.5592	3.108	9	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	111.5930	0.000	1	111.9850	1.629	5	111.5592	3.108	9	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	112.0830	1.452	4	111.9850	1.629	5	111.5592	3.108	9	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.6840	0.000	2	110.6840	0.000	2	111.5592	3.108	9	111.7781	3.109	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	114.2703	0.825	3	114.8212	0.404	8	114.8212	0.404	8	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	115.1518	0.044	5	114.8212	0.404	8	114.8212	0.404	8	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.0400	0.000	1	115.0400	0.000	1	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.7240	0.000	1	114.7240	0.000	1	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.5295	0.581	2	115.6617	0.151	13	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.7612	0.424	5	115.6617	0.151	13	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.7980	0.000	1	115.6617	0.151	13	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.7997	0.348	3	115.6617	0.151	13	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.4170	0.000	1	115.6617	0.151	13	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.1230	0.000	1	115.6617	0.151	13	115.5577	0.208	15	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|S<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	113.3015	0.474	2	113.3015	0.225	2	113.3015	0.225	2	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1700	0.000	1	114.1700	0.000	1	114.1700	0.000	1	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8420	0.000	1	113.8420	0.000	1	113.8420	0.000	1	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.6040	0.000	1	114.6040	0.000	1	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6770	0.000	1	113.1665	0.479	2	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6560	0.000	1	113.1665	0.479	2	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5373	0.209	3	113.5373	0.044	3	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5905	0.431	2	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.7857	0.651	3	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5920	0.000	1	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0302	1.561	4	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.3990	0.000	1	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7343	1.590	4	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.6010	0.669	2	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.1965	0.477	2	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.4510	0.000	1	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.8920	0.880	2	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.5100	0.000	1	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2290	0.000	1	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0640	0.000	1	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.8270	0.468	4	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.4620	0.000	1	114.5997	1.107	30	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.8590	0.000	1	114.8590	0.000	1	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9140	0.000	2	111.8750	0.005	3	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7970	0.000	1	111.8750	0.005	3	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0907	0.245	4	114.0907	0.060	4	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6830	0.000	1	112.0002	1.884	5	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5720	0.000	1	112.0002	1.884	5	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4215	0.052	2	112.0002	1.884	5	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9030	0.000	1	112.0002	1.884	5	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8010	0.000	1	113.8010	0.000	1	114.0038	1.794	50	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.1600	0.000	1	115.1600	0.000	1	113.6400	2.046	5	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.0080	0.000	1	114.2260	1.223	2	113.6400	2.046	5	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	113.4440	0.000	1	114.2260	1.223	2	113.6400	2.046	5	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	112.2940	0.583	2	112.2940	0.339	2	113.6400	2.046	5	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.8020	0.000	1	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.1340	0.000	1	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.9860	0.000	1	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.6580	0.000	1	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.9674	0.353	5	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.3655	0.812	2	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.5355	0.279	4	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.6190	0.000	1	115.1818	0.195	16	115.1818	0.195	16	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.9530	0.000	1	115.9530	0.000	1	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.1990	0.106	2	115.1990	0.011	2	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.4850	0.000	1	108.4850	0.000	1	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.8740	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.8190	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	113.9470	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.4540	0.093	3	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.5440	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.9945	0.466	2	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.0610	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.9642	0.994	19	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.4260	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.9750	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.9620	0.407	6	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	115.0970	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.6844	0.946	5	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.6920	0.000	1	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.2682	1.782	26	114.5182	2.417	70	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.6540	0.000	1	114.6540	0.000	1	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.3880	0.065	2	114.3880	0.004	2	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	112.8840	0.000	1	112.4055	0.460	8	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	112.6075	0.463	2	112.4055	0.460	8	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	112.2290	0.797	5	112.4055	0.460	8	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	116.8650	0.000	1	116.8650	0.000	1	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.2670	0.000	1	114.4350	0.056	2	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	114.6030	0.000	1	114.4350	0.056	2	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	113.0390	0.000	1	113.0390	0.000	1	114.2984	2.825	89	114.3605	2.229	189	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:2:2:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-2:C-2:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH){1|S<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6a]C[6]H)(C[6]S[6]HH)(H){2|H<1>,6|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:2:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	112.6925	0.024	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	3:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.6925	0.024	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:2:4:	4:2:2:4:	4:1:1:1:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:Br-1:H-1:H-1:	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH)	C(C[6,6]C[6,6]O[6]2)(Br)(H)2	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH){2|C<4>,4|H<1>}	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CBrHH){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]O[6]2)(Br)(H)2	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3)	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2{1|C<4>,3|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:2:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	C[6,6](C[6,6]C[6,6]HH)(O[6]C[5a,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2{1|S<2>,3|C<3>}	C(C[6,6]C[6,6]O[6]2)(COO)(H)2	115.7470	0.000	1	115.7470	0.000	1	115.7470	0.000	1	115.7470	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]O[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]O[6]2)(H)3	114.1070	0.000	1	114.1070	0.000	1	114.1070	0.000	1	114.3635	0.132	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3)	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H)	C(C[6,6]C[6,6]O[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])2(CH3){4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)2(C[6,6]O[6]2C)(H){4|C<3>}	C(C[6,6]C[6,6]O[6]2)(H)3	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	114.3635	0.132	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:3:2:4:	4:1:1:1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	112.0765	0.159	2	112.0765	0.025	2	112.0765	0.025	2	112.0765	0.025	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:3:3:2:	4:1:1:1:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(O[6,6]C[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]O[6,6]C[6])(H)3	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{1|S<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	114.8340	0.000	1	114.7240	0.024	2	114.7240	0.024	2	114.7240	0.024	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{3|C<3>,3|H<1>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	114.6140	0.000	1	114.7240	0.024	2	114.7240	0.024	2	114.7240	0.024	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	113.0870	0.000	1	113.0870	0.000	1	115.8556	2.145	7	115.8556	2.145	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){3|C<3>,3|H<1>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	116.3640	0.180	2	116.3640	0.032	2	115.8556	2.145	7	115.8556	2.145	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(CCO)(H){2|H<1>,3|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	115.9790	0.000	1	115.9790	0.000	1	115.8556	2.145	7	115.8556	2.145	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,3|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	117.8940	0.000	1	116.3983	1.878	3	115.8556	2.145	7	115.8556	2.145	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){2|H<1>,3|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	115.2030	0.000	1	116.3983	1.878	3	115.8556	2.145	7	115.8556	2.145	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[6]O[6]C)(COO)(H){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	116.0980	0.000	1	116.3983	1.878	3	115.8556	2.145	7	115.8556	2.145	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.7610	0.000	1	114.7527	1.757	3	114.7527	1.757	3	114.7527	1.757	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	115.2485	1.428	2	114.7527	1.757	3	114.7527	1.757	3	114.7527	1.757	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.7640	0.704	4	112.7640	0.495	4	112.7640	0.495	4	112.5229	0.753	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.2600	0.000	1	112.2013	1.245	3	112.2013	1.245	3	112.5229	0.753	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.6720	0.899	2	112.2013	1.245	3	112.2013	1.245	3	112.5229	0.753	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.1500	0.486	2	112.1500	0.237	2	112.1500	0.237	2	112.1500	0.237	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	113.4710	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.7978	2.231	8	114.9333	4.690	10	115.1318	4.242	12	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	115.4755	2.577	2	114.9333	4.690	10	115.1318	4.242	12	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	115.1020	0.000	1	116.1240	2.089	2	115.1318	4.242	12	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	117.1460	0.000	1	116.1240	2.089	2	115.1318	4.242	12	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	115.9775	0.228	2	115.8865	0.123	6	115.5944	0.700	7	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	115.4755	0.059	2	115.8865	0.123	6	115.5944	0.700	7	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.2060	0.000	1	115.8865	0.123	6	115.5944	0.700	7	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.2070	0.000	1	115.8865	0.123	6	115.5944	0.700	7	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.8420	0.000	1	113.8420	0.000	1	115.5944	0.700	7	115.1150	3.427	20	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){1|N<2>,2|C<3>,5|H<1>}	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	111.7645	1.032	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	N[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]N[6,6a]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	111.7645	1.032	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:2:3:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:O[6]-2:C-4:	C[6,6]-4:O[6,6]-2:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]2O[6])(H)3	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]O[6]C)(O[6,6]C[6,6])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]2O[6])(H)3	114.0185	0.206	2	114.0185	0.042	2	114.0185	0.042	2	114.0185	0.042	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:2:4:	4:1:1:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	113.1380	0.424	2	113.1380	0.180	2	111.6103	3.177	4	111.6103	3.177	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:2:4:	4:1:1:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3){3|C<4>,4|H<1>}	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	110.0825	0.120	2	110.0825	0.014	2	111.6103	3.177	4	111.6103	3.177	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.1775	0.155	2	112.3167	0.070	3	111.6490	0.861	6	111.6490	0.861	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.5950	0.000	1	112.3167	0.070	3	111.6490	0.861	6	111.6490	0.861	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.9650	0.000	1	111.2975	0.891	2	111.6490	0.861	6	111.6490	0.861	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]HO)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.6300	0.000	1	111.2975	0.891	2	111.6490	0.861	6	111.6490	0.861	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){1|Se<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6a]C[6])(C[6]C[6]SeH)(H){1|Se<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.3490	0.000	1	110.3490	0.000	1	111.6490	0.861	6	111.6490	0.861	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-3:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HH)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]H)(O[6]O[6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:4:2:1:	4:3:1:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH)	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H)	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH){6|C<3>}	C[6,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6]N[6]O[6]C)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	111.7127	1.215	6	111.7127	1.477	6	111.7127	1.477	6	111.7127	1.477	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(O[6]C[6])(CH3){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(O[6]C[6,6a])(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:3:3:4:	4:1:1:1:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C(C[6,6]C[6,6,6a]C[6,6]C[6])(H)3	109.4825	0.008	2	109.4825	0.000	2	109.4825	0.000	2	109.4825	0.000	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)(CH3){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3)	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,3x6]HH)(C[6]C[5,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.7705	0.076	2	112.7705	0.006	2	112.7705	0.006	2	113.3757	0.329	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2	C(C[6,6]C[6,6]N[6]2)(H)3	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]2)(H)3	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.3757	0.329	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2	C(C[6,6]C[6,6]N[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]2)(H)3	113.5720	0.577	6	113.5720	0.333	6	113.5720	0.333	6	113.3757	0.329	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(Cl)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(Cl){2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	112.2549	1.762	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:F-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7365	0.523	2	110.7365	0.273	2	110.7365	0.273	2	112.2549	1.762	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1360	1.107	2	112.1360	1.226	2	112.1360	1.226	2	112.2549	1.762	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.2195	0.367	4	113.2195	0.134	4	113.2976	0.131	5	112.2549	1.762	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.6100	0.000	1	113.6100	0.000	1	113.2976	0.131	5	112.2549	1.762	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.5940	0.263	2	115.5940	0.069	2	115.5940	0.069	2	115.5940	0.069	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:Br-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Br)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Br){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1150	0.438	2	113.1150	0.192	2	113.1150	0.192	2	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|Br<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8015	0.754	2	113.1873	0.570	6	113.1873	0.570	6	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8803	0.620	4	113.1873	0.570	6	113.1873	0.570	6	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7764	0.247	8	113.7764	0.061	8	113.7764	0.061	8	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,8|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4200	0.000	1	113.4200	0.000	1	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.3900	0.000	1	115.3900	0.000	1	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.8290	0.000	1	114.8290	0.000	1	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8620	0.000	1	113.8620	0.000	1	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7370	0.000	1	111.4564	0.396	17	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5395	0.614	14	111.4564	0.396	17	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4000	0.000	1	111.4564	0.396	17	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0690	0.000	1	111.4564	0.396	17	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6370	1.211	8	113.6370	1.466	8	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1260	0.000	1	114.1260	0.000	1	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]O[6]H)(CH3){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3150	0.000	1	107.3150	0.000	1	112.3483	3.025	31	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.6955	0.210	2	115.6955	0.044	2	114.8957	1.941	3	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.2960	0.000	1	113.2960	0.000	1	114.8957	1.941	3	112.7945	2.748	51	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:3:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[4x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:O-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CC[6a]HO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(OC)(H)	113.3160	0.000	1	113.3160	0.000	1	113.3160	0.000	1	113.3273	1.924	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:N-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	113.3273	1.924	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	112.3747	0.047	3	112.3747	0.002	3	113.4688	1.821	16	113.3273	1.924	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	114.3126	1.079	7	113.8624	2.440	10	113.4688	1.821	16	113.3273	1.924	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	112.8120	2.262	3	113.8624	2.440	10	113.4688	1.821	16	113.3273	1.924	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	113.2510	0.189	3	113.2510	0.036	3	113.4688	1.821	16	113.3273	1.924	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	113.6835	0.612	4	113.6835	0.375	4	113.3117	1.592	6	113.1229	1.576	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	114.1770	0.000	1	114.1770	0.000	1	113.3117	1.592	6	113.1229	1.576	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	110.9590	0.000	1	110.9590	0.000	1	113.3117	1.592	6	113.1229	1.576	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	113.1229	1.576	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	114.0495	1.681	2	114.0495	2.825	2	114.0495	2.825	2	114.0495	2.825	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCHO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:1:	4:4:1:1:	4:4:3:2:	C[6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:C-3:O-2:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(CCCO)(H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	110.8070	0.062	2	110.8070	0.004	2	110.8070	0.004	2	110.8070	0.004	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:2:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0640	0.000	1	111.1560	0.339	3	111.1560	0.339	3	111.1560	0.339	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:2:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2020	0.816	2	111.1560	0.339	3	111.1560	0.339	3	111.1560	0.339	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2218	0.263	4	110.0950	0.132	5	110.8078	0.823	9	110.8078	0.823	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5880	0.000	1	110.0950	0.132	5	110.8078	0.823	9	110.8078	0.823	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3980	0.000	1	111.3980	0.000	1	110.8078	0.823	9	110.8078	0.823	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4720	0.000	1	111.7990	0.112	3	110.8078	0.823	9	110.8078	0.823	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1400	0.000	1	111.7990	0.112	3	110.8078	0.823	9	110.8078	0.823	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7850	0.000	1	111.7990	0.112	3	110.8078	0.823	9	110.8078	0.823	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	111.1345	0.757	2	111.1345	0.574	2	111.1345	0.574	2	110.9327	0.409	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	110.9327	0.409	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5450	0.000	1	110.5450	0.000	1	110.7625	0.756	4	110.7625	0.756	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7490	0.000	1	110.7490	0.000	1	110.7625	0.756	4	110.7625	0.756	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9250	0.000	1	110.8780	2.192	2	110.7625	0.756	4	110.7625	0.756	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8310	0.000	1	110.8780	2.192	2	110.7625	0.756	4	110.7625	0.756	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	110.6058	2.415	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	111.6295	0.285	2	111.6295	0.081	2	111.3533	0.269	3	110.6058	2.415	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	110.8010	0.000	1	110.8010	0.000	1	111.3533	0.269	3	110.6058	2.415	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	108.4740	0.000	1	109.9400	4.298	2	109.9400	4.298	2	109.9400	4.298	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(CHHO){2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OH)(H)2	111.4060	0.000	1	109.9400	4.298	2	109.9400	4.298	2	109.9400	4.298	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[5,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]2)(H)3	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	110.7881	3.411	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4583	0.572	3	108.7682	0.603	4	110.9407	3.584	11	110.7881	3.411	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6980	0.000	1	108.7682	0.603	4	110.9407	3.584	11	110.7881	3.411	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3392	0.816	6	112.3392	0.666	6	110.9407	3.584	11	110.7881	3.411	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2400	0.000	1	111.2400	0.000	1	110.9407	3.584	11	110.7881	3.411	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	110.7881	3.411	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H)	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6,6]HH)(C[6]N[6,6]O)(H){3|H<1>,5|C<4>}	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H){3|C<3>,3|C<4>,3|O<2>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]2)(H)3	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]HO)(H){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.1340	0.000	1	115.3606	0.957	5	115.3606	0.957	5	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.0160	0.274	2	115.3606	0.957	5	115.3606	0.957	5	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.5850	0.000	1	115.3606	0.957	5	115.3606	0.957	5	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	117.0520	0.000	1	115.3606	0.957	5	115.3606	0.957	5	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	111.9465	0.275	2	111.9465	0.076	2	111.9465	0.076	2	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0840	0.000	1	107.9705	0.026	2	107.9705	0.026	2	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8570	0.000	1	107.9705	0.026	2	107.9705	0.026	2	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.7650	0.000	1	114.7650	0.000	1	114.7650	0.000	1	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4010	1.513	2	108.4010	2.290	2	108.4010	2.290	2	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8140	0.000	1	111.6600	0.547	3	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0830	0.143	2	111.6600	0.547	3	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7013	0.262	3	111.7013	0.069	3	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1695	0.599	4	112.1695	0.359	4	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4955	0.592	4	114.4955	0.350	4	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0370	0.000	1	114.0370	0.000	1	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6810	0.473	3	111.6810	0.223	3	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1850	0.000	1	113.1850	0.000	1	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1240	0.000	1	111.1240	0.000	1	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6170	0.000	1	111.6170	0.000	1	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4640	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1635	0.540	2	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7392	0.296	5	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8050	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9103	0.526	3	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4276	1.208	5	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1140	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8510	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6385	0.322	44	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4310	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0745	0.538	2	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9070	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8580	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3890	0.792	2	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0240	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1937	0.620	3	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6150	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9095	0.194	2	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0390	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6954	0.428	7	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4730	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5769	0.429	129	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7800	0.000	1	111.6109	0.206	216	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0150	1.558	8	112.3721	2.456	10	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8005	0.084	2	112.3721	2.456	10	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4520	0.000	1	111.6160	0.033	6	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6863	0.091	3	111.6160	0.033	6	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5925	0.327	2	111.6160	0.033	6	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5020	0.573	2	110.5020	0.328	2	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6230	0.000	1	112.5940	0.002	2	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5650	0.000	1	112.5940	0.002	2	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4450	0.320	2	111.7807	0.219	4	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1165	0.322	2	111.7807	0.219	4	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4780	0.000	1	111.4780	0.000	1	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4800	0.096	2	114.4800	0.009	2	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4380	0.000	1	111.4380	0.000	1	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8820	0.000	1	110.8820	0.000	1	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2085	0.449	2	113.0468	0.121	4	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8850	0.238	2	113.0468	0.121	4	111.7459	0.541	270	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.1730	0.000	1	114.1730	0.000	1	114.8503	1.389	4	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.6770	0.000	1	115.6770	0.000	1	114.8503	1.389	4	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.5480	0.000	1	113.5480	0.000	1	114.8503	1.389	4	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	116.0030	0.000	1	116.0030	0.000	1	114.8503	1.389	4	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H)	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	112.2810	0.091	2	112.2810	0.008	2	112.2810	0.008	2	111.8350	1.192	291	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	112.7930	0.000	1	112.7930	0.000	1	113.5493	1.247	3	113.5493	1.247	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	113.0230	0.000	1	113.0230	0.000	1	113.5493	1.247	3	113.5493	1.247	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	114.8320	0.000	1	114.8320	0.000	1	113.5493	1.247	3	113.5493	1.247	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9760	0.083	2	113.2560	0.239	3	113.6532	0.790	4	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8160	0.000	1	113.2560	0.239	3	113.6532	0.790	4	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	114.8450	0.000	1	114.8450	0.000	1	113.6532	0.790	4	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0060	0.000	1	113.0060	0.000	1	113.0060	0.000	1	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7600	1.010	3	113.7600	1.019	3	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2845	0.025	2	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5700	0.450	2	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2147	0.503	15	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2413	0.166	3	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2300	0.000	1	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1110	0.000	1	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1140	0.000	1	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9760	0.294	2	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7630	0.000	1	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4270	0.000	1	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8055	0.388	2	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2374	0.457	22	112.2657	0.242	53	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1070	0.000	1	112.1045	2.010	2	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1020	0.000	1	112.1045	2.010	2	112.3375	0.405	58	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.7790	0.000	1	113.7790	0.000	1	113.7790	0.000	1	112.4527	0.540	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	3:4:4:4:	4:4:4:2:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-4:C-4:O-2:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.1850	0.000	1	112.1850	0.000	1	112.9730	0.523	3	112.9129	0.323	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.3670	0.339	2	113.3670	0.115	2	112.9730	0.523	3	112.9129	0.323	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.2655	0.213	2	113.2655	0.045	2	112.8678	0.290	4	112.9129	0.323	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.7800	0.000	1	112.7800	0.000	1	112.8678	0.290	4	112.9129	0.323	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.1600	0.000	1	112.1600	0.000	1	112.8678	0.290	4	112.9129	0.323	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.5840	0.000	1	113.5840	0.000	1	112.7771	2.629	8	112.7508	2.306	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.8330	0.000	1	112.8330	0.000	1	112.7771	2.629	8	112.7508	2.306	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.3530	0.000	1	113.3530	0.000	1	112.7771	2.629	8	112.7508	2.306	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.1520	0.000	1	114.1520	0.000	1	112.7771	2.629	8	112.7508	2.306	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.8885	0.610	2	112.0737	4.515	4	112.7771	2.629	8	112.7508	2.306	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.2590	0.000	2	112.0737	4.515	4	112.7771	2.629	8	112.7508	2.306	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:S[6]-2:C-4:	C[3,6]-4:C[6,6]-4:S[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H)	C(C[6,6]C[6,6]C[6]S[6])(H)3	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]S[6]C)(S[6]C[5,6])(H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]S[6])(H)3	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.7508	2.306	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H){2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	115.1870	1.613	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	115.1870	1.613	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]O[6])(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]O[6]C)(C[6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6,6]C[6,6]O[6])(H)3	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.3750	0.000	1	114.3750	0.000	1	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){5|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.4810	0.000	1	116.4810	0.000	1	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.4600	0.206	2	116.4600	0.043	2	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	117.0180	0.000	1	116.4554	0.192	5	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.5830	0.243	2	116.4554	0.192	5	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.0465	0.153	2	116.4554	0.192	5	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.1820	0.000	1	116.1820	0.000	1	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.4125	0.094	2	114.5100	0.033	3	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.7050	0.000	1	114.5100	0.033	3	115.8281	0.960	13	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	115.9450	0.000	1	115.9450	0.000	1	114.6766	5.489	12	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	117.3170	0.290	2	117.3170	0.084	2	114.6766	5.489	12	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.6160	0.000	1	112.9598	0.184	5	114.6766	5.489	12	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.7957	0.257	4	112.9598	0.184	5	114.6766	5.489	12	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.6090	0.000	1	110.6090	0.000	1	114.6766	5.489	12	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	116.7107	0.398	3	116.7107	0.158	3	114.6766	5.489	12	115.0077	5.070	26	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:2:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	114.4470	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.4780	0.662	2	108.4780	0.438	2	108.4780	0.438	2	108.4780	0.438	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	3:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	3:4:4:2:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	111.5083	1.848	3	111.5083	3.416	3	111.5083	3.416	3	111.5083	3.416	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:2:2:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(O[6]C[6])2(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	111.9580	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:2:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	109.3380	2.967	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	109.3380	2.967	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3)	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H)	C(C[6,6]C[6,6]2C[6a])(H)3	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3){2|C<3>,2|H<1>,2|N<3>,4|O<1>}	C[6,6](C[6,6]C[6,6]C[6a]C)(C[6]N[6]O)2(H){3|H<1>,4|C<3>}	C(C[6,6]C[6,6]2C[6a])(H)3	110.5565	1.216	2	110.5565	1.477	2	110.5565	1.477	2	111.4013	1.444	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H)	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3){2|O<1>,6|C<3>}	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6,6a]O)2(H){1|C<4>,1|H<1>,5|C<3>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	112.2460	0.000	2	112.2460	0.000	2	112.2460	0.000	2	111.4013	1.444	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]2)(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]2)(H)3	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1370	0.105	2	111.1370	0.011	2	110.8089	2.459	14	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2536	0.431	8	111.1836	0.166	10	110.8089	2.459	14	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8920	0.000	1	111.1836	0.166	10	110.8089	2.459	14	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9150	0.000	1	111.1836	0.166	10	110.8089	2.459	14	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7010	0.000	1	108.6070	19.146	2	110.8089	2.459	14	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.5130	0.000	1	108.6070	19.146	2	110.8089	2.459	14	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6,6a]O)(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8660	0.000	1	110.8660	0.000	1	110.8660	0.000	1	110.8269	2.135	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]2)(CH3){1|N<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	105.1120	0.000	1	105.1120	0.000	1	105.1120	0.000	1	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|C<4>,5|C<3>}	C(C[6,6]C[3x6]C[6,6]C[6a])(H)3	107.2710	0.000	1	107.2710	0.000	1	107.2710	0.000	1	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8020	0.000	1	107.8020	0.000	1	107.8020	0.000	1	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|B<4>,1|C<3>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7410	0.348	2	109.7410	0.121	2	110.9270	0.404	24	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5090	0.000	1	111.0348	0.291	22	110.9270	0.404	24	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6945	0.247	2	111.0348	0.291	22	110.9270	0.404	24	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2245	0.680	6	111.0348	0.291	22	110.9270	0.404	24	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8093	0.384	13	111.0348	0.291	22	110.9270	0.404	24	110.4605	2.322	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|H<1>,5|C<3>}	C(C[6,6]C[3x6]C[6,6]C[6a])(CCH)(H)2	110.2510	1.131	2	110.2510	1.280	2	110.2510	1.280	2	111.3973	1.336	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2C)2(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	111.9705	0.698	4	111.9705	0.487	4	111.9705	0.487	4	111.3973	1.336	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	111.1485	3.258	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6500	0.000	1	108.6500	0.000	1	110.1390	4.434	2	111.1485	3.258	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6280	0.000	1	111.6280	0.000	1	110.1390	4.434	2	111.1485	3.258	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	111.1485	3.258	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	109.2897	0.704	3	109.2897	0.495	3	109.2897	0.495	3	110.1572	1.157	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	111.0247	0.373	3	111.0247	0.139	3	111.0247	0.139	3	110.1572	1.157	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:2:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:O[6]-2:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(O[6]C[6])(CCO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4370	0.047	2	111.4370	0.002	2	111.4370	0.002	2	111.4370	0.002	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	113.2602	0.426	4	113.2602	0.182	4	113.2602	0.182	4	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5390	0.000	1	113.6957	0.063	3	113.6957	0.063	3	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7740	0.300	2	113.6957	0.063	3	113.6957	0.063	3	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1540	0.000	1	113.1540	0.000	1	111.8250	8.544	4	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2220	0.000	1	108.2220	0.000	1	111.8250	8.544	4	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.9990	0.000	1	114.9990	0.000	1	111.8250	8.544	4	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9250	0.000	1	110.9250	0.000	1	111.8250	8.544	4	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0170	0.000	1	112.0170	0.000	1	110.4937	4.365	3	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1120	0.000	1	108.1120	0.000	1	110.4937	4.365	3	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3520	0.000	1	111.3520	0.000	1	110.4937	4.365	3	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7892	0.061	4	108.7892	0.004	4	109.1828	0.777	5	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7570	0.000	1	110.7570	0.000	1	109.1828	0.777	5	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8170	0.000	1	111.8170	0.000	1	111.3275	1.835	6	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HO)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.5790	0.000	1	113.5790	0.000	1	111.3275	1.835	6	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]N)(H){2|H<1>,2|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8330	0.000	1	109.8330	0.000	1	111.3275	1.835	6	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7780	0.000	1	110.9120	0.557	3	111.3275	1.835	6	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|I<1>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7160	0.000	1	110.9120	0.557	3	111.3275	1.835	6	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2420	0.000	1	110.9120	0.557	3	111.3275	1.835	6	111.5431	4.118	27	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(COO){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1895	0.646	2	114.1895	0.417	2	114.1895	0.417	2	114.1895	0.417	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	112.7773	0.286	3	112.7773	0.082	3	112.7773	0.082	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	115.9560	0.000	1	116.0830	0.032	2	116.5523	0.677	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	116.2100	0.000	1	116.0830	0.032	2	116.5523	0.677	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	117.4910	0.000	1	117.4910	0.000	1	116.5523	0.677	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	114.9020	0.000	1	114.9020	0.000	1	113.2910	1.982	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	112.2960	0.000	1	112.4855	0.072	2	113.2910	1.982	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	112.6750	0.000	1	112.4855	0.072	2	113.2910	1.982	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	112.1740	0.000	1	112.1740	0.000	1	112.8430	1.233	4	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	112.3470	0.000	2	112.3470	0.000	2	112.8430	1.233	4	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	114.5040	0.000	1	114.5040	0.000	1	112.8430	1.233	4	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5,6]O)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	112.2240	0.880	2	112.2240	0.774	2	112.2240	0.774	2	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.5030	0.000	1	108.4505	1.796	2	108.4505	1.796	2	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.3980	0.000	1	108.4505	1.796	2	108.4505	1.796	2	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.7860	0.000	1	112.7860	0.000	1	112.5285	0.133	2	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.2710	0.000	1	112.2710	0.000	1	112.5285	0.133	2	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.4567	0.211	3	114.4567	0.045	3	114.4567	0.045	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CH3){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C)(H)3	111.6575	0.429	2	111.6575	0.184	2	111.6575	0.184	2	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6455	0.514	2	107.6455	0.264	2	107.6455	0.264	2	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3080	0.000	1	110.3080	0.000	1	112.7070	1.854	5	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5940	0.000	1	113.5940	0.000	1	112.7070	1.854	5	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2110	0.235	3	113.2110	0.055	3	112.7070	1.854	5	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4313	0.205	3	107.3764	0.047	10	107.3764	0.047	10	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.2050	0.204	3	107.3764	0.047	10	107.3764	0.047	10	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3910	0.232	2	107.3764	0.047	10	107.3764	0.047	10	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3730	0.000	1	107.3764	0.047	10	107.3764	0.047	10	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7000	0.000	1	107.3764	0.047	10	107.3764	0.047	10	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7570	0.000	1	110.7570	0.000	1	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3040	0.000	1	113.3040	0.000	1	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7740	0.000	1	113.7740	0.000	1	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0420	0.000	1	111.0420	0.000	1	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.6425	0.136	2	114.6425	0.019	2	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.9400	0.000	1	114.7720	0.682	6	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.2027	0.853	3	114.7720	0.682	6	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4310	0.000	1	114.7720	0.682	6	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6530	0.000	1	114.7720	0.682	6	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2810	0.000	1	113.2255	1.075	4	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1130	0.263	2	113.2255	1.075	4	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3950	0.000	1	113.2255	1.075	4	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8620	0.102	2	111.2135	0.294	4	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5650	0.614	2	111.2135	0.294	4	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	105.3200	0.000	1	106.1247	0.944	3	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.5270	0.957	2	106.1247	0.944	3	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7520	0.000	1	112.7520	0.000	1	112.3198	8.128	24	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0450	0.000	1	114.0450	0.000	1	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.8880	0.000	1	114.8880	0.000	1	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3843	0.511	3	109.3843	0.261	3	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6340	0.000	1	111.6340	0.000	1	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<2>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5460	0.000	1	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2860	0.822	4	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5930	0.000	1	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2395	0.149	2	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7480	0.000	1	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2770	1.199	2	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.6280	0.000	1	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]2C[6])(H)3	117.5840	0.000	1	114.2520	1.776	13	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.3433	1.151	3	114.2372	0.713	5	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0780	0.339	2	114.2372	0.713	5	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2700	0.000	1	112.6502	0.188	4	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5410	0.000	1	112.6502	0.188	4	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8950	0.537	2	112.6502	0.188	4	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.7170	0.000	1	106.6970	0.001	2	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6770	0.000	1	106.6970	0.001	2	112.9726	6.170	30	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2810	0.000	1	113.2810	0.000	1	113.2810	0.000	1	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.9150	0.000	1	114.7730	0.048	3	114.0102	7.317	5	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.7020	0.255	2	114.7730	0.048	3	114.0102	7.317	5	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.8660	4.981	2	112.8660	24.809	2	114.0102	7.317	5	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9390	0.000	1	108.9390	0.000	1	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0505	0.360	2	112.0940	8.631	7	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4650	0.095	2	112.0940	8.631	7	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.2090	0.426	3	112.0940	8.631	7	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.2570	0.000	1	115.2570	0.000	1	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9800	0.000	1	109.8637	0.794	3	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3055	0.646	2	109.8637	0.794	3	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.0420	0.000	1	113.1365	1.640	2	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.2310	0.000	1	113.1365	1.640	2	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.1428	0.383	5	113.1428	0.147	5	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.1140	0.000	1	115.1140	0.000	1	112.2773	5.611	20	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.5580	0.000	1	114.5580	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.9320	0.000	1	113.9320	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.8477	0.264	6	114.8477	0.069	6	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.7530	0.000	1	113.6643	6.039	20	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.9541	3.188	11	113.6643	6.039	20	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.4043	0.275	6	113.6643	6.039	20	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.0080	0.000	1	113.6643	6.039	20	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.6040	0.000	1	113.6643	6.039	20	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.9100	0.000	1	114.9100	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.8960	0.000	1	112.8960	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.2090	0.000	1	115.2090	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.0170	0.000	1	113.0170	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){2|C<4>,2|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9630	0.000	1	110.9630	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.6785	0.078	2	113.6785	0.006	2	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.7070	0.000	1	115.6420	0.008	2	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.5770	0.000	1	115.6420	0.008	2	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.3620	0.000	1	113.3620	0.000	1	113.9437	3.826	38	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	112.0270	0.000	1	112.1740	0.043	2	113.6833	6.856	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]C)(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	112.3210	0.000	1	112.1740	0.043	2	113.6833	6.856	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H)	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	116.7020	0.000	1	116.7020	0.000	1	113.6833	6.856	3	112.6837	7.297	166	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	110.8061	3.184	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	110.8061	3.184	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	110.0530	0.000	1	110.0530	0.000	1	109.8950	0.746	3	110.8061	3.184	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	108.9630	0.000	1	108.9630	0.000	1	109.8950	0.746	3	110.8061	3.184	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	110.6690	0.000	1	110.6690	0.000	1	109.8950	0.746	3	110.8061	3.184	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS)	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	110.1160	0.710	2	110.1160	0.504	2	110.1160	0.504	2	110.8061	3.184	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	110.1510	0.074	2	110.1510	0.005	2	110.1510	0.005	2	110.7113	0.488	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	110.8590	0.081	2	110.8590	0.006	2	110.8590	0.006	2	110.7113	0.488	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH)	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	111.1240	1.189	2	111.1240	1.415	2	111.1240	1.415	2	110.7113	0.488	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C[6,6](C[6,6]C[6]2H)2(CC[6a]O)(CCHH){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C)(CCHH)(H)2	111.9117	1.776	4	111.9117	3.154	4	111.9117	3.154	4	111.3502	3.942	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:S-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(SC[6a]OO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(SC[6a]OO)(H)2	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	111.3502	3.942	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	112.0206	3.601	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	112.0206	3.601	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.2915	1.211	2	112.4657	2.096	4	112.5550	3.405	6	112.0206	3.601	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1070	0.000	1	112.4657	2.096	4	112.5550	3.405	6	112.0206	3.601	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.1730	0.000	1	112.4657	2.096	4	112.5550	3.405	6	112.0206	3.601	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4270	0.000	1	110.4270	0.000	1	112.5550	3.405	6	112.0206	3.601	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.0400	0.000	1	115.0400	0.000	1	112.5550	3.405	6	112.0206	3.601	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]2H)(H)3	113.6290	0.000	1	113.6290	0.000	1	113.6290	0.000	1	113.4410	0.071	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	C(C[6,6]C[6,6]2H)(H)3	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	113.4410	0.071	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H)	C(C[6,6]C[6,6]2H)(CCH)(H)2	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]2H)(CCH)(H)2	111.5765	1.791	2	111.5765	3.208	2	111.5765	3.208	2	111.5765	3.208	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C(C[6,6]C[6,6]2H)(CH3)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2H)(CH3)(H)2	113.4070	0.000	1	113.4070	0.000	1	113.0635	0.236	2	113.0635	0.236	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C(C[6,6]C[6,6]2H)(CHHO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2H)(CHHO)(H)2	112.7200	0.000	1	112.7200	0.000	1	113.0635	0.236	2	113.0635	0.236	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C(C[6,6]C[6,6]2H)(H)3	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H)	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]N[4x6]CH)(CHHO)(H){3|C<4>,3|H<1>}	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6,6]CH)(C[6]C[6]HH)(H){2|C<4>,2|N<3>,5|H<1>}	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	113.2800	0.000	1	113.2800	0.000	1	113.2800	0.000	1	114.7240	4.170	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	C(C[6,6]C[6,6]2H)(CCHH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	C(C[6,6]C[6,6]2H)(CCHH)(H)2	116.1680	0.000	1	116.1680	0.000	1	116.1680	0.000	1	114.7240	4.170	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]2H)(H)3	114.2780	0.000	1	114.2780	0.000	1	114.2780	0.000	1	114.2780	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:2:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]H)(CH3)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]2H)(H)3	114.3550	0.000	1	114.3550	0.000	1	114.3550	0.000	1	114.3550	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C-4:Cl-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CClCH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	112.9490	0.000	1	112.9490	0.000	1	112.9490	0.000	1	112.3708	0.884	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	112.7455	0.523	2	112.7455	0.273	2	112.1780	1.103	3	112.3708	0.884	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	111.0430	0.000	1	111.0430	0.000	1	112.1780	1.103	3	112.3708	0.884	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:3:2:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:N[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(CH3)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S){4|H<1>,5|C<3>}	C(C[6,6]C[6,6]2H)(H)3	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	121.7610	0.000	1	121.7610	0.000	1	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.6190	0.000	1	112.6190	0.000	1	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.6970	0.000	1	112.6970	0.000	1	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	111.2590	0.382	3	111.9343	1.504	12	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|B<4>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.3936	1.422	7	111.9343	1.504	12	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	110.8070	0.000	1	111.9343	1.504	12	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|Se<1>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	111.8730	0.000	1	111.9343	1.504	12	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	111.0890	0.000	1	111.0890	0.000	1	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	114.4540	0.000	1	114.4540	0.000	1	112.6960	6.960	17	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[4x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	111.8950	0.037	2	111.8950	0.001	2	111.8950	0.001	2	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	110.9430	0.000	1	110.9430	0.000	1	112.1453	1.126	3	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,5,3x6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.7465	0.289	2	112.7465	0.084	2	112.1453	1.126	3	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	124.8300	0.000	1	124.8300	0.000	1	124.8300	0.000	1	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	111.6640	0.609	4	111.5756	0.388	13	111.5756	0.388	13	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	111.7785	0.845	4	111.5756	0.388	13	111.5756	0.388	13	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	111.5220	0.048	2	111.5756	0.388	13	111.5756	0.388	13	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	110.7450	0.000	1	111.5756	0.388	13	111.5756	0.388	13	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	111.9520	0.000	1	111.5756	0.388	13	111.5756	0.388	13	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	110.9720	0.000	1	111.5756	0.388	13	111.5756	0.388	13	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C(C[6,6]C[6,6]N[3x6]H)(H)3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(H)3	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	112.4186	7.980	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	111.2022	1.253	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[3x6]C[6,6]H)(OC[6a])(H)2	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	111.2022	1.253	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.1870	0.000	1	111.1960	1.234	4	111.1960	1.234	4	111.2022	1.253	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.1990	1.360	3	111.1960	1.234	4	111.1960	1.234	4	111.2022	1.253	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	111.7177	1.437	3	111.7177	2.065	3	111.7177	2.065	3	111.2022	1.253	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)2	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	111.8366	1.517	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C(C[6,6]C[4,6,6]C[6,6]H)(NCH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(NCH)(H)2	111.0670	0.083	2	111.0670	0.007	2	111.2046	0.441	7	111.8366	1.517	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	111.2596	0.804	5	111.2596	0.646	5	111.2046	0.441	7	111.8366	1.517	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	113.7510	0.728	2	113.7510	0.530	2	113.7510	0.530	2	111.8366	1.517	10	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	114.0530	0.485	4	114.0530	0.235	4	115.2750	1.357	15	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	115.7860	1.036	10	115.7860	1.073	10	115.2750	1.357	15	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	115.0530	0.000	1	115.0530	0.000	1	115.2750	1.357	15	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	112.9235	0.689	2	112.8167	0.870	4	114.2161	0.957	40	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	112.7100	1.445	2	112.8167	0.870	4	114.2161	0.957	40	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	113.2152	0.957	6	113.2152	0.917	6	114.2161	0.957	40	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	115.9230	0.000	1	115.9230	0.000	1	114.2161	0.957	40	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	114.5574	0.598	29	114.5574	0.357	29	114.2161	0.957	40	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	N[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OAl)(H)	118.3520	0.223	2	118.3520	0.050	2	118.3520	0.050	2	114.6399	1.735	57	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	114.8600	0.000	1	112.8068	2.047	9	112.8438	1.860	11	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	112.9865	1.706	4	112.8068	2.047	9	112.8438	1.860	11	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	112.2250	0.864	2	112.8068	2.047	9	112.8438	1.860	11	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	112.5430	0.000	1	112.8068	2.047	9	112.8438	1.860	11	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	111.4620	0.000	1	112.8068	2.047	9	112.8438	1.860	11	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	114.0480	0.000	1	114.0480	0.000	1	112.8438	1.860	11	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	111.9730	0.000	1	111.9730	0.000	1	112.8438	1.860	11	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CHHN)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){1|B<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	110.3585	0.582	2	110.3585	0.339	2	110.3585	0.339	2	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:S-4:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	C(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(H)2	113.0385	2.863	2	113.0385	8.197	2	113.0385	8.197	2	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	112.2025	2.957	18	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	109.4765	1.059	4	109.4765	1.122	4	110.4628	5.706	5	111.1998	7.824	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	114.4080	0.000	1	114.4080	0.000	1	110.4628	5.706	5	111.1998	7.824	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C[6,6](C[4x6]C[3x6]N[3x6]H)(C[6,6]C[3x6]HH)(CCHO)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	111.1998	7.824	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	113.0380	0.000	1	112.7230	0.198	2	112.7230	0.198	2	112.7230	0.198	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	112.4080	0.000	1	112.7230	0.198	2	112.7230	0.198	2	112.7230	0.198	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	111.7326	1.078	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.7326	1.078	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	111.3050	0.838	3	111.1050	0.628	4	111.1050	0.628	4	111.7326	1.078	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	C(C[6,6]C[4x6]C[6,6]H)(H)3	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(H)3	110.5050	0.000	1	111.1050	0.628	4	111.1050	0.628	4	111.7326	1.078	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H)	C(C[6,6]C[5,6,6]C[6,6]H)(H)3	C[6,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6,6]C[6]O[6]H)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6,6]HO)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[5,6,6]C[6,6]H)(H)3	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	111.7326	1.078	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)2(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6]O[6]H)2(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(H)3	113.2255	0.364	2	113.2255	0.133	2	113.2255	0.133	2	111.7326	1.078	9	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	111.2232	0.474	23	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BC[6,6]O)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	111.2935	0.723	2	111.2935	0.523	2	111.2935	0.523	2	111.2232	0.474	23	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NNiC)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	111.1402	0.689	15	111.1402	0.475	15	111.1402	0.475	15	111.2232	0.474	23	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5,3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H)	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C(C[6,6]C[5,3x6]C[6,6]H)(H)3	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a]H)(CH3)(H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[5,3x6]C[6,6]H)(H)3	111.1325	0.823	4	111.1325	0.678	4	111.1325	0.678	4	111.2232	0.474	23	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)(CH3)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]2H)(H)3	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	111.2232	0.474	23	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H)	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]2H)(CHHO)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]CH)(C[6]C[6]HH)(C[6]O[6]O)(H){2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C(C[6,6]C[6,6]2H)(CCH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Al<5>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(CCH)(H)2	113.0000	0.099	2	113.9060	1.592	4	113.9060	1.592	4	113.4263	1.803	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C(C[6,6]C[6,6]2H)(CCH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(CCH)(H)2	114.8120	1.218	2	113.9060	1.592	4	113.9060	1.592	4	113.4263	1.803	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H)	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)(C[6]N[6]C)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(H)2	112.4670	1.215	2	112.4670	1.476	2	112.4670	1.476	2	113.4263	1.803	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]2N)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO)	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	C[6,6](C[6,6]C[6]2N)2(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	112.6535	0.474	2	112.6535	0.225	2	114.4585	4.496	4	114.4585	4.496	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]2N)2(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO)	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	C[6,6](C[6,6]C[6]2N)2(CCHH)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6,6]C[6,6]2H)(CC[6a]O)(H)2	116.2635	0.482	2	116.2635	0.232	2	114.4585	4.496	4	114.4585	4.496	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:C-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(CNO)(COO)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(CNO)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	115.8030	0.000	1	115.8030	0.000	1	115.8030	0.000	1	115.6805	0.030	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO)	C(C[6,6]C[6,6]2H)(CCHH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2C)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	C(C[6,6]C[6,6]2H)(CCHH)(H)2	115.5580	0.000	1	115.5580	0.000	1	115.5580	0.000	1	115.6805	0.030	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H)	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(BN[5]3)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NPdHH)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	112.3210	0.762	2	112.3210	0.581	2	112.3210	0.581	2	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]H)(H)3	C[6,6](C[5,6,6]C[5,6]O[5,6]O)(C[6,6]C[6,6]C[6]H)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C(C[6,6]C[5,6,6]C[6,6]H)(H)3	113.5540	0.000	1	113.5540	0.000	1	113.5540	0.000	1	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	111.4640	0.820	2	111.4640	0.673	2	111.4640	0.673	2	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	113.4187	0.364	3	113.4587	0.095	4	113.4587	0.095	4	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	N[5,5]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[6,6](N[5,5]B[5,5]C[5]2)(C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|C<3>,6|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	113.5790	0.000	1	113.4587	0.095	4	113.4587	0.095	4	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C(C[6,6]C[6,6]2H)(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2H)(H)3	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	112.5322	1.440	12	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OC)(H)2	113.8225	0.373	4	113.8225	0.139	4	112.6176	4.229	14	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	115.5080	0.805	2	115.5080	0.648	2	112.6176	4.229	14	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.2060	0.000	1	111.2060	0.000	1	112.6176	4.229	14	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	114.5510	0.000	1	114.5510	0.000	1	112.6176	4.229	14	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2Ir)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ir<6>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.0480	0.000	1	111.0480	0.000	1	112.6176	4.229	14	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6,6a]2Ru)(C[6,6]C[3x6]CH)(CHHO)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|Ru<6>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	108.8510	0.000	1	108.8510	0.000	1	112.6176	4.229	14	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	111.1713	0.467	4	111.1713	0.218	4	112.6176	4.229	14	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(OH)(H)2	115.1180	0.000	1	115.1180	0.000	1	115.1180	0.000	1	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[4x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H)	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(CHHO)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(CHHO)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[4x6]C[6,6]H)(OH)(H)2	115.4290	0.000	1	115.4290	0.000	1	115.4290	0.000	1	112.9496	4.492	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[5]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H)	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN[5]HH)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(N[5]C[5,6a]C[5])(H)2	110.7624	1.910	14	110.7624	3.648	14	110.7624	3.648	14	111.2277	4.781	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2H)(CCH)(H)2	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C(C[6,6]C[6,6]2H)(CCH)(H)2	114.4850	0.211	2	114.4850	0.044	2	114.4850	0.044	2	111.2277	4.781	16	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	113.3090	0.000	1	113.3090	0.000	1	113.3090	0.000	1	112.6012	1.846	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:P-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H)	C(C[6,6]C[3x6]C[6,6]H)(PPdCC)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CHHP)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]H)(PPdCC)(H)2	112.7400	0.037	2	112.7400	0.001	2	112.7400	0.001	2	112.6012	1.846	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C[6,6](C[6,6]C[3x6]N[5]H)(C[3x6]C[6,6]2H)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(N[5]C[5]2H)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	109.9210	0.000	1	109.9210	0.000	1	109.9210	0.000	1	112.6012	1.846	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2H)(CH3)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C(C[6,6]C[6,6]2H)(CH3)(H)2	113.2620	0.000	1	113.2620	0.000	1	113.4485	0.070	2	112.6012	1.846	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2H)(CHHO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|N<3>,3|H<1>}	C(C[6,6]C[6,6]2H)(CHHO)(H)2	113.6350	0.000	1	113.6350	0.000	1	113.4485	0.070	2	112.6012	1.846	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pd<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	115.3485	0.968	2	115.1744	0.553	5	115.1744	0.553	5	115.1744	0.553	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pt<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	115.1530	1.058	2	115.1744	0.553	5	115.1744	0.553	5	115.1744	0.553	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C(C[6,6]C[3x6]C[6,6]H)(H)3	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(H)3	114.8690	0.000	1	115.1744	0.553	5	115.1744	0.553	5	115.1744	0.553	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:4:3:3:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C(C[6,6]C[6,6]2O)(CCH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2O)(CCH)(H)2	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:4:3:3:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C(C[6,6]C[6,6]2O)(CH3)(H)2	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2O)(CH3)(H)2	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:4:4:3:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	C(C[6,6]C[6,6]2O)(CCH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2O)(CCH)(H)2	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	3:4:4:4:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:Si-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	C(C[6,6]C[6,6]2O)(SiC3)(H)2	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2O)(SiC3)(H)2	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	113.1210	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H)	C(C[6,6]C[6,6]2O)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6,6]C[6,6]2O)(H)3	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[5,6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi)	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(CCHH)(OSi){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]CO)(C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	111.7815	0.210	2	112.2732	0.686	5	112.2243	0.471	7	112.2226	0.403	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	112.6010	0.973	3	112.2732	0.686	5	112.2243	0.471	7	112.2226	0.403	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[4x6]HH)(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|O<1>,1|S<3>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	112.1020	0.191	2	112.1020	0.036	2	112.2243	0.471	7	112.2226	0.403	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2	C(C[6,6]C[3x6]C[6,6]O)(H)3	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]CO)(H)2{5|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]O)(H)3	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.2226	0.403	8	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-2:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2O)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[6,6]C[6,6]2O)(H)3	115.0390	0.000	1	115.0390	0.000	1	115.0390	0.000	1	115.0390	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CH3)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H)	C(C[6,6]C[6,6]2O)(H)3	C[6,6](C[6,6]C[6]2H)2(CH3)(OH){1|N<3>,1|S<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]N[6]HH)(C[6]S[6]HH)(H){1|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]2O)(H)3	113.2660	0.119	2	113.2660	0.014	2	113.2660	0.014	2	113.2660	0.014	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2O)(CCH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C(C[6,6]C[6,6]2O)(CCH)(H)2	112.9320	0.000	1	113.1210	0.071	2	113.1210	0.071	2	113.1210	0.071	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2O)(CCH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6,6]C[6,6]2O)(CCH)(H)2	113.3100	0.000	1	113.1210	0.071	2	113.1210	0.071	2	113.1210	0.071	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[3x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H)	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CO)(H){2|C<3>,2|C<4>,2|H<1>,4|O<2>}	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	112.3465	0.525	2	112.3465	0.276	2	112.3465	0.276	2	112.8200	0.811	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2O)(CH3)(H)2	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6,6]C[6,6]2O)(CH3)(H)2	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	112.8200	0.811	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:2:	4:4:4:3:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:Si-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO)	C(C[6,6]C[6,6]2O)(SiC3)(H)2	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	C(C[6,6]C[6,6]2O)(SiC3)(H)2	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2{1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.9730	0.000	1	109.9730	0.000	1	110.0477	0.110	3	110.0477	0.110	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|O<2>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.7590	0.000	1	109.7590	0.000	1	110.0477	0.110	3	110.0477	0.110	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO){1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2{1|N<3>,2|C<3>,2|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	110.4110	0.000	1	110.4110	0.000	1	110.0477	0.110	3	110.0477	0.110	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:3:	4:4:1:1:	4:3:3:1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-3:C-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(CCCH)(COO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(COO)(H)	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	111.5875	0.805	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,5,3x6]-4:C[6,6]-4:C-4:C-3:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH)	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|N<3>,2|O<1>}	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	111.5875	0.805	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C(C[6,6]C[6,6]2C)(H)3	110.9705	1.445	2	110.9705	2.087	2	110.5800	0.743	6	110.5800	0.743	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C(C[6,6]C[6,6]2C)(H)3	110.5975	0.650	2	110.3847	0.390	4	110.5800	0.743	6	110.5800	0.743	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C(C[6,6]C[6,6]2C)(H)3	110.1720	0.752	2	110.3847	0.390	4	110.5800	0.743	6	110.5800	0.743	6	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	112.1300	0.031	2	112.1300	0.001	2	112.1300	0.001	2	112.1300	0.001	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[5a]-3:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a])	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a]){2|H<1>,6|C<3>}	C(C[6,6]C[6,6]2C)(H)3	110.9185	0.598	2	110.9185	0.357	2	110.9185	0.357	2	110.9185	0.357	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3840	0.000	1	112.3840	0.000	1	112.3840	0.000	1	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8580	0.000	1	110.8580	0.000	1	110.8580	0.000	1	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3145	0.265	2	111.3145	0.070	2	109.6413	0.514	29	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6295	0.172	2	108.6295	0.030	2	109.6413	0.514	29	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2150	0.000	1	109.4760	0.136	2	109.6413	0.514	29	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7370	0.000	1	109.4760	0.136	2	109.6413	0.514	29	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4020	0.493	3	109.5981	0.292	23	109.6413	0.514	29	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6751	0.578	17	109.5981	0.292	23	109.6413	0.514	29	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3580	0.308	3	109.5981	0.292	23	109.6413	0.514	29	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.7585	0.742	32	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	108.2765	2.320	2	108.2765	5.382	2	108.2765	5.382	2	108.2765	5.382	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	110.4018	0.996	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	110.4018	0.996	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1440	0.000	1	111.1440	0.000	1	110.7885	0.253	2	110.4018	0.996	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4330	0.000	1	110.4330	0.000	1	110.7885	0.253	2	110.4018	0.996	4	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:2:3:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.7370	0.000	1	109.3696	0.801	7	109.3696	0.801	7	109.3696	0.801	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:2:3:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.3083	0.964	6	109.3696	0.801	7	109.3696	0.801	7	109.3696	0.801	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:2:3:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){3|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	104.0330	0.000	1	104.0330	0.000	1	108.0460	32.208	2	108.0460	32.208	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:2:3:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6,6](C[6,6]C[5,6]C[6]C)(O[6]C[5,6])(C[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	112.0590	0.000	1	112.0590	0.000	1	108.0460	32.208	2	108.0460	32.208	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CH3)2	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2H)2(CH3)2{2|N<3>,4|O<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]N[6]O)2(H){2|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C)(H)3	110.7350	0.195	2	110.7350	0.038	2	110.7350	0.038	2	111.5069	0.277	35	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[6]2H)2(CH3)2	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]N[6]2H)2(CH3)2{2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C(C[6,6]C[6,6]2C)(H)3	111.5536	0.504	33	111.5536	0.254	33	111.5536	0.254	33	111.5069	0.277	35	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH)	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H)	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH){1|C<3>,1|S<4>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H){1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	107.7555	1.105	2	107.7555	1.221	2	107.7555	1.221	2	107.8497	0.484	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,1|N<3>,3|O<1>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|O<1>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	107.0140	0.000	1	107.8874	0.414	5	107.8874	0.414	5	107.8497	0.484	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	107.6790	0.000	1	107.8874	0.414	5	107.8874	0.414	5	107.8497	0.484	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	108.2480	0.479	3	107.8874	0.414	5	107.8874	0.414	5	107.8497	0.484	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|C<4>,6|C<3>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C(C[6,6]C[6,6]2C)(H)3	112.1345	1.913	2	112.1345	3.659	2	111.8777	1.312	4	111.3724	2.261	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C(C[6,6]C[6,6]2C)(H)3	111.6210	0.123	2	111.6210	0.015	2	111.8777	1.312	4	111.3724	2.261	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	111.3724	2.261	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]O)2(CC[6a]O){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C)(H)3	112.4740	0.477	2	112.4740	0.227	2	112.4740	0.227	2	110.1660	4.535	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4725	0.107	2	108.4725	0.011	2	108.6273	0.078	3	110.1660	4.535	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.9370	0.000	1	108.9370	0.000	1	108.6273	0.078	3	110.1660	4.535	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:3:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	113.3325	0.378	2	113.4013	0.086	3	113.4013	0.086	3	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,3|H<1>,3|O<2>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	113.5390	0.000	1	113.4013	0.086	3	113.4013	0.086	3	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.6635	0.101	2	111.6635	0.010	2	110.4292	2.038	4	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.1950	0.098	2	109.1950	0.010	2	110.4292	2.038	4	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0240	0.000	1	108.3380	0.197	2	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6520	0.000	1	108.3380	0.197	2	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9810	0.477	2	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2450	0.041	2	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9275	0.094	2	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4870	0.000	1	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.4880	0.000	1	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5395	2.173	4	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9960	0.000	1	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8930	0.000	1	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<1>,4|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.1580	0.000	1	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0724	0.439	8	109.6985	3.489	23	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2860	0.000	1	110.2860	0.000	1	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4060	0.000	1	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1650	0.000	1	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5778	1.422	4	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5293	0.215	4	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2432	0.065	4	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0740	0.000	1	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3010	0.000	1	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7250	0.000	1	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6502	0.517	6	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8730	0.260	3	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6760	0.939	7	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8293	0.425	4	109.6389	0.559	37	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5860	0.000	1	110.3880	2.870	2	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HO)(H){4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1900	0.000	1	110.3880	2.870	2	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3650	0.000	1	109.3650	0.000	1	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8800	0.115	2	107.8800	0.013	2	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1300	0.065	2	111.1300	0.004	2	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]C)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.3240	0.000	1	106.3240	0.000	1	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(H){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1410	0.000	1	109.1410	0.000	1	109.5874	1.785	72	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4900	0.375	2	110.4900	0.140	2	110.4900	0.140	2	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1140	0.494	2	110.1140	0.244	2	110.1140	0.244	2	109.8573	2.277	86	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.9915	0.019	2	108.9915	0.000	2	108.9915	0.000	2	109.2170	0.796	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8840	0.000	1	109.8840	0.000	1	109.3673	1.507	3	109.2170	0.796	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9660	0.000	1	107.9660	0.000	1	109.3673	1.507	3	109.2170	0.796	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2520	0.000	1	110.2520	0.000	1	109.3673	1.507	3	109.2170	0.796	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:C[6]-4:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|S<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6670	0.000	1	110.6670	0.000	1	110.6670	0.000	1	109.2910	0.989	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0510	0.000	1	108.9470	0.530	4	108.9470	0.530	4	109.2910	0.989	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.9123	0.887	3	108.9470	0.530	4	108.9470	0.530	4	109.2910	0.989	5	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.0305	0.668	2	108.5900	0.805	3	108.5998	0.537	4	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	107.7090	0.000	1	108.5900	0.805	3	108.5998	0.537	4	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	108.6290	0.000	1	108.6290	0.000	1	108.5998	0.537	4	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.7620	0.000	1	110.7620	0.000	1	110.7620	0.000	1	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6623	0.437	3	108.6623	0.191	3	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3350	0.000	1	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4168	0.406	15	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7030	0.000	1	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1150	0.000	1	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1665	0.438	2	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1130	0.130	2	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9146	0.636	22	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7183	0.328	3	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4570	0.000	1	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6730	0.088	2	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0450	1.185	2	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5210	0.000	1	110.0689	0.566	53	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7340	0.000	1	109.9285	1.298	2	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1230	0.000	1	109.9285	1.298	2	109.9913	0.645	58	109.9308	0.751	64	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.1990	0.904	2	109.1990	0.817	2	110.7321	1.787	24	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2{2|C<2>,2|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	111.4235	0.595	4	111.4235	0.354	4	110.7321	1.787	24	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	111.0895	0.909	2	111.0895	0.826	2	110.7321	1.787	24	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	110.7062	1.449	16	110.7062	2.101	16	110.7321	1.787	24	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3){1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{2|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8370	0.000	1	109.8370	0.000	1	111.1222	0.972	5	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.2730	0.000	1	112.2730	0.000	1	111.1222	0.972	5	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3320	0.863	2	111.1670	0.454	3	111.1222	0.972	5	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8370	0.000	1	111.1670	0.454	3	111.1222	0.972	5	110.7367	1.691	30	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:Br-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6]C[6]2C)(Br)(H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6]C[6]2C)(Br)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	113.9770	0.000	1	113.9770	0.000	1	113.9770	0.000	1	113.9770	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|Br<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]BrH)(O[6]C[5,6])(H){1|Br<1>,3|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.9330	0.000	1	111.9330	0.000	1	111.9330	0.000	1	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[3x6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.3730	0.000	1	106.3730	0.000	1	109.0579	4.259	29	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9112	1.021	5	109.9112	1.042	5	109.0579	4.259	29	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2820	0.048	2	111.3731	2.072	7	109.0579	4.259	29	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2096	0.217	5	111.3731	2.072	7	109.0579	4.259	29	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0225	3.234	2	107.9462	2.301	16	109.0579	4.259	29	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1170	1.137	2	107.9462	2.301	16	109.0579	4.259	29	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5717	1.062	12	107.9462	2.301	16	109.0579	4.259	29	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2300	0.000	1	111.2300	0.000	1	111.1723	0.003	3	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3){1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|N<3>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1435	0.039	2	111.1435	0.002	2	111.1723	0.003	3	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8890	0.000	1	111.8890	0.000	1	111.2590	4.143	3	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9830	0.000	1	110.9440	7.691	2	111.2590	4.143	3	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.9050	0.000	1	110.9440	7.691	2	111.2590	4.143	3	109.5598	4.487	38	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(NCH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(NCH)(H)2	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3){2|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	109.2950	0.000	1	109.2950	0.000	1	109.2950	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H)	C(C[6,6]C[5,5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)(H){2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6,6]C[6])(H)3	111.9140	0.000	1	111.9140	0.000	1	111.9140	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H)	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)(H){2|H<1>,4|C<3>,4|C<4>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	111.4110	0.000	1	111.4940	0.014	2	111.0433	0.616	3	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	111.5770	0.000	1	111.4940	0.014	2	111.0433	0.616	3	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.1420	0.000	1	110.1420	0.000	1	111.0433	0.616	3	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.5640	0.000	1	110.5640	0.000	1	111.1735	0.743	2	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.7830	0.000	1	111.7830	0.000	1	111.1735	0.743	2	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	C(C[6,6]C[6,6]2C)(H)3	109.5720	0.120	2	109.5720	0.014	2	109.8773	0.287	3	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C)(H)3	110.4880	0.000	1	110.4880	0.000	1	109.8773	0.287	3	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){10|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6520	0.000	1	110.6520	0.000	1	110.6520	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1770	0.000	1	114.1770	0.000	1	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2240	0.031	2	111.2240	0.001	2	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0570	0.000	1	110.7527	0.602	3	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6005	1.032	2	110.7527	0.602	3	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7780	0.280	2	112.7780	0.078	2	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2252	0.396	13	110.1622	0.148	18	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9905	0.391	2	110.1622	0.148	18	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0040	0.390	3	110.1622	0.148	18	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1557	2.136	3	109.1557	4.562	3	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4360	0.000	1	112.4360	0.000	1	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6250	0.439	3	111.6250	0.193	3	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.4116	0.434	5	115.3698	0.161	6	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.1610	0.000	1	115.3698	0.161	6	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3435	0.411	2	111.7512	0.286	4	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)(H){6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1590	0.153	2	111.7512	0.286	4	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0760	0.366	10	112.2696	0.360	14	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3980	0.000	1	112.2696	0.360	14	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5387	0.897	3	112.2696	0.360	14	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]O)(H){2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3000	0.000	1	111.3000	0.000	1	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]O[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6870	0.000	1	113.6870	0.000	1	111.6631	3.159	59	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(C[6,6]C[6]2)(H){1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6990	0.136	2	109.6990	0.018	2	109.6990	0.018	2	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8260	0.000	1	110.8260	0.000	1	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]O[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.1930	0.000	1	106.1930	0.000	1	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0860	0.000	1	111.0860	0.000	1	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7900	0.000	1	110.9495	1.413	2	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1090	0.000	1	110.9495	1.413	2	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8050	0.000	1	108.8050	0.000	1	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8290	0.000	1	112.8290	0.000	1	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4280	0.000	1	111.5490	9.734	4	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6200	0.000	1	111.5490	9.734	4	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1800	0.000	1	111.5490	9.734	4	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9680	0.000	1	111.5490	9.734	4	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3865	0.200	4	111.7685	2.538	6	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5340	0.000	1	111.7685	2.538	6	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5310	0.000	1	111.7685	2.538	6	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0285	0.266	4	112.0445	0.254	13	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2527	0.284	3	112.0445	0.254	13	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8520	0.000	1	112.0445	0.254	13	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5280	0.336	4	112.0445	0.254	13	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7420	0.000	1	112.0445	0.254	13	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2905	0.107	2	110.2905	0.011	2	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1450	0.509	2	110.1788	1.368	10	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6750	0.000	1	110.1788	1.368	10	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1690	0.000	1	110.1788	1.368	10	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Br<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5820	0.000	1	110.1788	1.368	10	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|Cl<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5530	0.215	2	110.1788	1.368	10	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9887	0.209	3	110.1788	1.368	10	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2290	0.000	1	110.0469	3.994	7	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3994	1.999	5	110.0469	3.994	7	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1020	0.000	1	110.0469	3.994	7	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1180	0.853	2	108.2837	2.452	3	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6150	0.000	1	108.2837	2.452	3	110.8187	3.379	52	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6940	0.000	1	112.6940	0.000	1	111.3235	3.757	2	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9530	0.000	1	109.9530	0.000	1	111.3235	3.757	2	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]O)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.0690	0.000	1	115.0690	0.000	1	115.0690	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)(H){2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.4090	0.543	2	108.4090	0.295	2	108.4090	0.295	2	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.0505	0.554	6	113.0505	0.307	6	112.7733	0.794	7	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1100	0.000	1	111.1100	0.000	1	112.7733	0.794	7	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7150	0.626	2	110.7150	0.392	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8340	0.000	1	111.7765	0.007	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7190	0.000	1	111.7765	0.007	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0286	0.587	5	112.0286	0.344	5	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.0100	0.000	1	113.0100	0.000	1	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.1880	0.000	1	112.1880	0.000	1	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4810	0.700	2	110.4810	0.490	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5520	0.000	1	111.5120	0.003	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4720	0.000	1	111.5120	0.003	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0995	0.104	2	109.0995	0.011	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(H){1|S<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2110	0.182	2	111.2110	0.033	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.9908	0.235	6	111.9908	0.055	6	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HN)(C[6]C[6]C)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6620	0.199	2	111.6620	0.040	2	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]O)(H){2|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5870	0.000	1	111.5870	0.000	1	111.4924	0.868	28	111.2797	2.944	169	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:2:1:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[3,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){2|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.0583	8.967	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	111.0583	8.967	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	113.7400	0.000	1	113.7400	0.000	1	113.7400	0.000	1	111.0583	8.967	3	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:B-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[4,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6740	1.662	3	106.6740	2.763	3	106.6740	2.763	3	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1095	0.112	2	110.1095	0.013	2	108.9803	0.930	6	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]N)(ON){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0570	0.000	1	109.0570	0.000	1	108.9803	0.930	6	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4070	0.112	2	108.4070	0.012	2	108.9803	0.930	6	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7920	0.000	1	107.7920	0.000	1	108.9803	0.930	6	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6])	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6640	0.000	1	111.6640	0.000	1	110.9747	0.371	9	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0597	0.221	3	111.0597	0.049	3	110.9747	0.371	9	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5050	0.000	1	110.6925	1.320	2	110.9747	0.371	9	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8800	0.000	1	110.6925	1.320	2	110.9747	0.371	9	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH){1|O<1>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5050	0.372	2	110.5050	0.138	2	110.9747	0.371	9	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5340	0.000	1	111.5340	0.000	1	110.9747	0.371	9	109.6560	3.268	21	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	113.8160	0.000	1	113.7040	0.025	2	113.7040	0.025	2	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	113.5920	0.000	1	113.7040	0.025	2	113.7040	0.025	2	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	115.5170	0.000	1	115.5170	0.000	1	115.5170	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	114.0880	0.000	1	114.0880	0.000	1	112.9748	0.384	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	113.7210	0.000	1	112.9852	0.347	6	112.9748	0.384	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	113.3040	0.000	1	112.9852	0.347	6	112.9748	0.384	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	112.4723	0.183	3	112.9852	0.347	6	112.9748	0.384	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	113.4690	0.000	1	112.9852	0.347	6	112.9748	0.384	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	112.5460	0.000	1	112.5830	0.011	3	112.9748	0.384	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	112.6015	0.142	2	112.5830	0.011	3	112.9748	0.384	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	112.5310	0.000	1	113.7105	2.782	2	113.4480	4.421	5	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	114.8900	0.000	1	113.7105	2.782	2	113.4480	4.421	5	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	112.3170	0.000	1	112.3170	0.000	1	113.4480	4.421	5	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	116.3300	0.000	1	116.3300	0.000	1	113.4480	4.421	5	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	111.1720	0.000	1	111.1720	0.000	1	113.4480	4.421	5	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	112.5230	0.000	1	112.5230	0.000	1	112.5230	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	109.1500	0.000	1	109.1500	0.000	1	110.2415	2.054	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	112.3360	0.000	1	110.6053	2.286	3	110.2415	2.054	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	109.7400	0.281	2	110.6053	2.286	3	110.2415	2.054	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pd<4>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	111.3558	2.281	4	111.3415	4.782	10	111.3415	4.782	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){1|Pt<4>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	111.5150	2.172	4	111.3415	4.782	10	111.3415	4.782	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	110.9660	3.588	2	111.3415	4.782	10	111.3415	4.782	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.8090	0.000	1	113.3876	0.817	20	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.4400	0.000	1	113.3876	0.817	20	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.4113	0.716	6	113.3876	0.817	20	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	114.0502	0.607	9	113.3876	0.817	20	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.3500	0.000	1	113.3876	0.817	20	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.1160	0.085	2	113.3876	0.817	20	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.4030	0.000	1	112.5483	0.016	3	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.6210	0.035	2	112.5483	0.016	3	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.8805	0.769	2	112.4447	0.462	4	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	112.0090	0.191	2	112.4447	0.462	4	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	111.6240	0.000	1	112.4140	1.248	2	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	113.2040	0.000	1	112.4140	1.248	2	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	111.3150	0.000	1	111.3150	0.000	1	113.0439	0.914	30	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,6|H<1>,7|C<4>}	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	114.8540	0.000	1	114.8540	0.000	1	114.6405	0.091	2	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){3|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	114.4270	0.000	1	114.4270	0.000	1	114.6405	0.091	2	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	112.7150	0.000	1	112.9360	0.098	2	112.9360	0.098	2	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	113.1570	0.000	1	112.9360	0.098	2	112.9360	0.098	2	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	111.2627	0.481	3	111.2627	0.232	3	111.9128	1.634	6	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.7420	0.000	1	110.7420	0.000	1	111.9128	1.634	6	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	113.4735	0.443	2	113.4735	0.197	2	111.9128	1.634	6	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,8|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.5420	0.523	2	111.5420	0.274	2	111.5420	0.274	2	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.1750	0.513	4	113.1750	0.263	4	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.7560	0.000	1	112.3968	0.394	33	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.5700	0.000	1	112.3968	0.394	33	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.5073	0.810	7	112.3968	0.394	33	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.8670	0.000	1	112.3968	0.394	33	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.3424	0.600	14	112.3968	0.394	33	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.2841	0.352	9	112.3968	0.394	33	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.0970	0.356	2	111.5255	8.596	4	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.9960	0.000	1	111.5255	8.596	4	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){6|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.9120	0.000	1	111.5255	8.596	4	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.0390	0.000	1	113.0390	0.000	1	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.7950	0.000	1	106.7950	0.000	1	112.2728	1.804	43	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.0997	0.169	3	115.0997	0.029	3	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.8590	0.000	1	112.8590	0.000	1	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.0340	0.000	1	114.0340	0.000	1	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.8445	0.472	2	112.1492	3.990	4	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.4540	0.501	2	112.1492	3.990	4	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.6670	0.000	1	111.6670	0.000	1	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.7305	0.080	2	113.0073	0.316	9	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.9130	0.000	1	113.0073	0.316	9	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.8600	0.000	1	113.0073	0.316	9	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.3910	0.000	1	113.0073	0.316	9	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.6810	0.000	1	113.0073	0.316	9	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.2635	0.179	2	113.0073	0.316	9	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.2330	0.000	1	113.0073	0.316	9	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|B<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.2220	0.730	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|F<1>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.2280	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.1190	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.9880	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.4350	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.5810	0.231	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.7335	0.329	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.7690	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	116.3360	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.9582	0.156	4	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	116.2270	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.0625	0.346	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.0280	0.362	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.2135	0.380	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.5230	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.5315	1.040	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.4520	0.000	2	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.0500	0.000	1	114.4537	1.370	29	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.5095	0.822	2	112.5095	0.676	2	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.2280	0.000	1	112.3473	0.646	3	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.9070	0.358	2	112.3473	0.646	3	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.8450	0.000	1	115.7105	0.036	2	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.5760	0.000	1	115.7105	0.036	2	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.9210	0.000	1	112.9210	0.000	1	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.5690	0.000	1	113.7895	0.305	13	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.8770	0.000	1	113.7895	0.305	13	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.0515	0.633	2	113.7895	0.305	13	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.0050	0.460	2	113.7895	0.305	13	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.8848	0.303	5	113.7895	0.305	13	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.2720	0.000	1	113.7895	0.305	13	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.0080	0.000	1	113.7895	0.305	13	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	115.0380	0.000	1	115.0380	0.000	1	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	113.1400	0.000	1	113.1400	0.000	1	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.1880	0.078	2	111.1880	0.006	2	113.7657	1.824	73	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H){4|C<4>,8|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	112.4160	0.000	1	112.4160	0.000	1	112.4160	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.7410	0.000	1	114.7410	0.000	1	114.7410	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C)(H)3	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1750	0.000	1	109.1750	0.000	1	111.2190	3.134	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2690	0.000	1	112.2690	0.000	1	111.2190	3.134	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3){5|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2130	0.000	1	112.2130	0.000	1	111.2190	3.134	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4093	0.683	4	110.4093	0.467	4	110.6748	0.449	6	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2060	0.004	2	111.2060	0.000	2	110.6748	0.449	6	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0695	0.465	2	112.6420	0.656	3	112.6420	0.656	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7870	0.000	1	112.6420	0.656	3	112.6420	0.656	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[4,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|C<3>,3|C<4>,3|O<2>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2560	0.082	2	113.2560	0.007	2	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4510	0.000	1	114.4510	0.000	1	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1790	0.243	2	110.1704	0.071	12	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1687	0.284	10	110.1704	0.071	12	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4950	0.000	1	111.4950	0.000	1	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2668	0.245	4	112.2668	0.060	4	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2520	0.000	1	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|Br<1>,1|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0240	0.000	1	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6090	0.000	1	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6020	0.738	2	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8550	0.570	2	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1089	0.385	14	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5785	0.159	2	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5730	0.000	1	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3170	0.000	1	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,1|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2425	0.190	2	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){11|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9530	0.000	1	112.9932	0.230	28	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8000	0.000	1	114.0105	0.089	2	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2210	0.000	1	114.0105	0.089	2	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6560	0.000	1	111.7830	1.524	2	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,9|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9100	0.000	1	111.7830	1.524	2	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<4>,3|C<3>,3|O<2>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8780	0.000	1	115.4460	4.917	2	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H){1|O<1>,2|C<3>,3|C<4>,3|O<2>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	117.0140	0.000	1	115.4460	4.917	2	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H){1|C<3>,3|H<1>,4|C<4>,5|O<2>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1890	0.000	1	114.1890	0.000	1	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1110	0.000	1	112.1110	0.000	1	112.4314	2.137	56	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0470	0.000	1	110.0470	0.000	1	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4870	0.000	1	111.9465	0.110	6	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9880	0.000	1	111.9465	0.110	6	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0510	0.314	4	111.9465	0.110	6	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1855	0.702	10	110.2054	0.431	18	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7255	0.430	4	110.2054	0.431	18	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|H<1>,8|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7350	0.343	4	110.2054	0.431	18	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H){2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.4610	0.000	1	115.4610	0.000	1	110.8032	1.777	26	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[5a,6]HH)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7440	0.000	1	111.6310	7.122	2	111.1450	4.269	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5180	0.000	1	111.6310	7.122	2	111.1450	4.269	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(C[6]C[5a,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1730	0.000	1	110.1730	0.000	1	111.1450	4.269	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6,6a]O[6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(Cl){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3640	0.000	1	111.3640	0.000	1	111.3640	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4620	0.222	4	111.4620	0.049	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3410	0.000	1	110.3410	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9345	0.373	4	112.9345	0.139	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5990	0.083	2	111.8787	0.729	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1585	0.326	2	111.8787	0.729	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6,6]CH)(C[6]C[5,6]HH)(H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3490	0.000	1	109.3490	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7360	0.000	1	111.7360	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,5|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6120	0.000	1	110.6120	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0310	0.000	1	110.2230	1.306	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4150	0.000	1	110.2230	1.306	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2870	0.000	1	110.2842	0.548	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2670	0.331	2	110.2842	0.548	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3200	0.000	1	110.2842	0.548	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2800	0.000	1	110.2842	0.548	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6]C)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3430	0.000	1	112.3430	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7235	0.074	2	112.7235	0.006	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5850	0.000	1	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3650	0.000	1	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7527	0.493	17	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5350	0.000	1	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9868	0.619	8	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8300	0.178	2	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<1>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5390	0.302	3	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7430	0.000	1	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0940	0.000	1	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3620	0.653	3	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8370	0.000	1	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7330	0.159	3	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6716	0.708	30	111.2994	0.538	72	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4557	0.396	3	110.3136	0.188	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4800	0.000	1	110.3136	0.188	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7210	0.000	1	110.3136	0.188	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2720	0.535	2	110.2720	0.286	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8770	0.000	1	110.8770	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4250	0.000	1	109.9687	0.156	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7405	0.022	2	109.9687	0.156	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1220	0.000	1	112.1220	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7833	0.176	4	111.7833	0.031	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7890	0.000	1	112.7890	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6850	0.000	1	110.6850	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6960	0.000	1	112.6960	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2470	0.000	1	110.2470	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|Cl<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1370	0.000	1	114.1370	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4010	0.000	1	111.4010	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1450	0.000	1	114.1450	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6590	0.000	1	112.5209	0.220	32	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4273	0.652	7	112.5209	0.220	32	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4260	0.000	1	112.5209	0.220	32	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6033	0.527	14	112.5209	0.220	32	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4607	0.234	9	112.5209	0.220	32	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6660	0.248	3	106.9345	0.329	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7400	0.000	1	106.9345	0.329	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5700	0.000	1	111.5700	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3750	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4503	0.144	3	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8222	0.301	5	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0510	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4713	0.308	7	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1690	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5340	0.407	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6467	0.570	6	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1779	0.363	14	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4040	0.089	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9660	0.310	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5010	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2290	0.423	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4830	0.301	4	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7895	0.390	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9610	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3440	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2677	0.438	6	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7516	0.583	10	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2570	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7130	0.059	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6508	0.196	4	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9900	0.741	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9810	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9610	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2930	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0640	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7770	0.000	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0534	0.652	38	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|N<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0880	0.000	2	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2285	0.845	94	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9508	0.660	71	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8750	2.595	3	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5120	0.000	1	111.1013	0.579	295	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3285	0.291	2	110.9027	1.031	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){1|O<2>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0510	0.000	1	110.9027	1.031	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0780	0.000	1	111.0780	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9460	0.000	1	110.5150	0.296	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7995	0.326	2	110.5150	0.296	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5520	0.000	1	112.5520	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7280	0.000	1	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.0270	0.000	1	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6087	0.735	3	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3090	0.141	2	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7550	0.000	1	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2070	0.000	1	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4600	0.120	2	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8850	0.153	2	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2760	0.000	2	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6210	0.000	1	111.6890	2.937	16	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6500	0.000	1	109.9568	1.033	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6320	0.000	2	109.9568	1.033	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6810	0.511	2	109.9568	1.033	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4650	0.000	1	109.9568	1.033	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9270	0.000	1	113.9270	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2100	0.192	2	111.2100	0.037	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(H){5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8250	0.000	1	111.8250	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8177	0.711	6	109.9228	8.435	9	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.5800	0.000	1	109.9228	8.435	9	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	105.9095	0.142	2	109.9228	8.435	9	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4370	0.923	4	111.5035	0.523	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6365	0.069	2	111.5035	0.523	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9380	0.000	1	111.9382	0.008	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[5,6]HH)(H){2|O<2>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9382	0.100	4	111.9382	0.008	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5960	0.000	1	112.5665	0.002	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6,6]HH)(H){4|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5370	0.000	1	112.5665	0.002	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4835	0.060	2	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8025	0.278	2	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6040	0.182	3	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9120	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9465	1.030	2	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2065	0.197	2	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5911	0.298	11	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<1>,5|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4727	0.276	3	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4640	0.127	3	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8101	0.407	7	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4810	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8600	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6180	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0720	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9440	0.649	2	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8280	0.467	5	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5450	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5780	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7790	0.000	1	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8713	0.684	4	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4972	0.453	22	113.1049	0.612	76	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0770	0.000	1	113.0214	0.337	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4810	0.000	1	113.0214	0.337	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7495	0.992	2	113.0214	0.337	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0500	0.000	1	113.0214	0.337	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9340	0.000	1	112.1292	0.883	12	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9890	0.000	1	112.1292	0.883	12	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5315	0.265	4	112.1292	0.883	12	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0635	0.065	4	112.1292	0.883	12	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8010	0.000	1	112.1292	0.883	12	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4460	0.000	1	112.1292	0.883	12	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9900	0.000	1	112.9900	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5010	0.000	1	110.5010	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(H){1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9690	0.000	1	113.9690	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HO)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3080	0.000	1	112.3080	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3930	0.000	1	112.0825	0.193	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7720	0.000	1	112.0825	0.193	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6990	0.000	1	109.5533	0.593	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7660	0.000	1	109.5533	0.593	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1950	0.000	1	109.5533	0.593	3	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5560	0.185	2	110.2706	0.203	19	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4087	0.505	3	110.2706	0.203	19	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6330	0.000	1	110.2706	0.203	19	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1260	0.000	1	110.2706	0.203	19	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8815	0.404	6	110.2706	0.203	19	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5625	0.313	4	110.2706	0.203	19	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){2|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2525	0.620	2	110.2706	0.203	19	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1330	0.000	1	110.1330	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|O<2>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8910	0.000	1	108.8910	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|C<3>,2|H<1>,4|C<4>,6|O<2>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3245	0.159	2	109.3245	0.025	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2980	0.000	1	110.2980	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7610	0.341	2	112.7610	0.116	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1770	0.000	1	112.1770	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5560	0.000	1	113.5560	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.7424	0.430	5	114.7424	0.185	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8498	0.444	5	111.8498	0.197	5	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0595	0.633	2	114.0595	0.401	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2090	0.000	1	112.2090	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1026	0.860	9	108.8715	0.585	15	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3764	0.319	5	108.8715	0.585	15	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2680	0.000	1	108.8715	0.585	15	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2620	0.000	1	112.3980	0.037	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5340	0.000	1	112.3980	0.037	2	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5375	0.459	2	112.1280	0.311	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8770	0.000	1	112.1280	0.311	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5600	0.000	1	112.1280	0.311	4	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3470	0.000	1	114.3988	0.610	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1680	0.355	3	114.3988	0.610	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.2710	0.088	2	114.3988	0.610	6	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.9500	0.000	1	114.9500	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7760	0.000	1	111.7760	0.000	1	111.4623	1.814	681	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8210	0.000	1	109.7557	0.383	4	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2160	0.000	1	109.7557	0.383	4	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4930	0.892	2	109.7557	0.383	4	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6,6]C[6]2O)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3260	0.000	1	111.3260	0.000	1	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6260	0.000	1	109.6282	0.833	5	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3990	0.000	1	109.6282	0.833	5	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0560	0.000	1	109.6282	0.833	5	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(H){1|C<3>,3|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5300	0.566	2	109.6282	0.833	5	109.8490	0.771	10	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6570	0.000	1	110.6570	0.000	1	110.3523	0.217	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2000	0.543	2	110.2000	0.295	2	110.3523	0.217	3	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9570	0.000	1	113.9570	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8900	0.000	1	113.8900	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8800	0.000	1	112.8800	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8735	0.572	2	113.1213	0.348	3	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6170	0.000	1	113.1213	0.348	3	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8380	0.000	1	113.8380	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4930	0.000	1	113.4930	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9970	0.000	1	112.9970	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3690	0.000	1	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4690	0.000	1	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7876	0.630	21	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.6650	0.000	1	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3520	0.000	1	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4370	0.000	1	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.3470	0.000	1	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9277	0.073	3	112.1987	0.879	30	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3300	0.000	1	111.8316	0.086	5	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7070	0.106	4	111.8316	0.086	5	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8160	0.000	1	113.8160	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.3410	0.000	1	114.3410	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5600	0.000	1	110.5600	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3840	0.000	1	113.3840	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){3|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8340	0.000	1	112.8340	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5460	0.000	1	111.5460	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3620	0.000	1	109.3620	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.8050	0.000	1	114.8050	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9970	0.000	1	110.9970	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8135	0.430	4	110.8135	0.185	4	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.7230	0.000	1	114.7230	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7010	0.030	2	111.7010	0.001	2	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0540	0.000	1	110.9655	2.139	4	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3950	0.000	1	110.9655	2.139	4	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7065	0.134	2	110.9655	2.139	4	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5980	0.000	1	111.0005	5.104	2	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4030	0.000	1	111.0005	5.104	2	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.4730	0.000	1	111.4730	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5900	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.7430	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1500	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2531	0.418	10	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4080	0.150	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6334	0.847	5	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5530	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9550	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|I<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5535	0.547	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9800	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2815	0.420	4	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1393	0.282	3	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7530	0.495	5	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9103	0.542	8	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.9510	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2555	0.329	4	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2320	0.051	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5145	0.923	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3583	1.124	3	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0980	0.404	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.6370	0.353	4	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.9210	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2397	0.726	9	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.8138	0.808	23	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2504	0.438	7	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.6730	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8740	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1820	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2163	0.804	3	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2365	0.240	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.3287	0.563	4	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4130	0.066	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5270	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.1425	0.437	4	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9160	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.8304	1.048	5	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5697	0.354	3	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5525	0.732	8	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3420	0.160	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7030	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9827	0.513	8	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1128	1.192	6	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4360	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5190	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6689	0.445	7	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5440	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5835	0.214	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6970	0.359	2	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3570	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5060	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3420	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1720	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4290	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.5980	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.3409	0.481	43	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.5750	0.000	1	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.2350	0.774	9	113.8285	0.886	229	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9500	0.300	4	113.7163	1.538	14	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.1930	0.000	1	113.7163	1.538	14	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5320	0.000	1	113.7163	1.538	14	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4379	0.637	8	113.7163	1.538	14	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6470	0.000	1	111.6168	3.044	10	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4090	0.000	1	111.6168	3.044	10	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3280	0.328	2	111.6168	3.044	10	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3020	0.000	1	111.6168	3.044	10	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9010	0.000	2	111.6168	3.044	10	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4507	0.779	3	111.6168	3.044	10	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7555	0.069	2	113.1865	2.745	4	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.6175	0.194	2	113.1865	2.745	4	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8435	2.682	2	110.7808	5.948	6	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2495	2.576	4	110.7808	5.948	6	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2950	0.000	1	112.7815	0.473	2	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2680	0.000	1	112.7815	0.473	2	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Br<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2200	0.000	1	111.1216	4.006	9	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8593	1.967	8	111.1216	4.006	9	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2180	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8290	0.516	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6830	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3960	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0460	0.106	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8940	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2580	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7876	0.824	5	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3931	1.324	15	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4940	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6570	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3090	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1310	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5055	0.002	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2150	0.276	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3253	0.272	3	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0550	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.9120	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3050	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0095	1.893	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0718	0.268	4	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1805	0.198	4	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6720	0.144	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6445	0.105	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.0240	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<2>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0200	1.622	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0045	0.369	4	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1880	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.9410	0.000	2	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|N<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6455	0.808	4	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0847	0.309	3	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.5070	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6306	1.352	79	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|Br<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.3220	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|N<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2950	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5134	0.781	93	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6471	0.686	8	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0860	0.000	1	110.4299	1.856	258	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)2(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.4250	0.000	1	112.4250	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8560	0.000	1	111.8560	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0570	0.000	1	112.0570	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5670	0.000	1	112.5587	4.886	3	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.1720	0.000	1	112.5587	4.886	3	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.9370	0.000	1	112.5587	4.886	3	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.0790	0.000	1	115.0790	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7870	0.000	1	109.7870	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3520	0.000	1	110.3520	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.9360	0.000	1	112.9360	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1040	0.000	1	111.1040	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3520	0.000	1	112.3520	0.000	1	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.1180	0.000	1	113.2317	0.108	3	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2885	0.443	2	113.2317	0.108	3	112.0686	3.921	614	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.4520	0.000	1	114.4520	0.000	1	114.4520	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6506	0.441	28	111.6506	0.194	28	111.8956	0.906	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7220	0.000	1	114.1368	0.193	4	111.8956	0.906	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0335	0.018	2	114.1368	0.193	4	111.8956	0.906	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.7580	0.000	1	114.1368	0.193	4	111.8956	0.906	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.0470	0.000	1	111.0470	0.000	1	111.8956	0.906	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6370	0.000	1	110.6370	0.000	1	111.8956	0.906	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3430	0.000	1	112.3776	0.368	5	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5580	0.000	1	112.3776	0.368	5	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.7955	0.670	2	112.3776	0.368	5	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3960	0.000	1	112.3776	0.368	5	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8998	0.400	14	110.8711	0.152	27	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8402	0.394	13	110.8711	0.152	27	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4800	0.000	1	110.4800	0.000	1	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2360	0.000	1	111.2360	0.000	1	111.0919	0.467	34	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7750	0.834	3	110.7750	0.696	3	110.1740	1.909	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3710	0.000	1	108.3710	0.000	1	110.1740	1.909	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3410	0.000	1	110.3410	0.000	1	110.3410	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.5390	0.000	1	114.5390	0.000	1	114.1887	1.203	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.5880	0.000	1	113.5880	0.000	1	114.1887	1.203	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.0700	0.000	1	114.3140	3.095	2	114.1887	1.203	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.5580	0.000	1	114.3140	3.095	2	114.1887	1.203	4	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.2590	0.000	1	114.2590	0.000	1	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[5,6]HH)(H){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.3970	0.000	1	115.3970	0.000	1	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.6990	0.000	1	111.9900	1.005	2	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2810	0.000	1	111.9900	1.005	2	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6400	0.000	1	109.6400	0.000	1	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.8091	1.427	9	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.6800	0.000	1	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.3780	0.256	5	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.7430	0.000	1	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.3140	0.000	1	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.1010	0.000	1	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.5065	0.134	2	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.1770	0.000	1	114.0095	0.938	21	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0420	0.000	1	112.0420	0.000	1	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.0610	0.000	1	113.5790	1.680	3	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.8380	0.257	2	113.5790	1.680	3	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){3|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.3850	0.000	1	112.3850	0.000	1	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8780	0.000	1	111.8235	0.006	2	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7690	0.000	1	111.8235	0.006	2	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|F<1>,1|N<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.8380	0.000	1	112.8380	0.000	1	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.5300	0.000	1	106.5300	0.000	1	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.1250	0.219	2	113.2077	0.045	3	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.3730	0.000	1	113.2077	0.045	3	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5810	0.000	1	108.8030	0.099	2	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0250	0.000	1	108.8030	0.099	2	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2325	0.580	4	109.4189	2.232	7	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5610	0.000	1	109.4189	2.232	7	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,6|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9600	0.000	1	109.4189	2.232	7	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){6|H<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.4810	0.000	1	109.4189	2.232	7	112.5280	5.226	47	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.4400	0.000	1	114.4400	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.5080	0.000	1	114.5080	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.5220	0.000	1	112.5220	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3870	0.000	1	109.9820	0.500	3	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7640	0.000	1	109.9820	0.500	3	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7950	0.000	1	109.9820	0.500	3	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.6330	0.000	1	114.6330	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.4280	0.000	1	112.4280	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5315	0.250	2	111.5315	0.062	2	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.3270	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.4930	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.5070	0.397	2	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.5060	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.9940	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.1020	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.1780	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.8997	0.972	3	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.0810	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.0927	0.252	3	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.8610	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8720	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.4690	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.0770	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.4100	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.2815	0.572	2	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.3575	0.575	2	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.1249	0.590	15	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0300	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.1740	0.000	1	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.8850	1.247	5	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.8963	0.620	3	113.6292	1.146	49	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.3230	0.000	1	114.3230	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.9860	0.000	1	112.9860	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2920	0.000	1	111.1487	0.555	3	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6410	0.000	1	111.1487	0.555	3	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5130	0.000	1	111.1487	0.555	3	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.1400	0.205	3	112.8550	0.214	6	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.5700	0.499	3	112.8550	0.214	6	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.9275	0.838	2	113.9275	0.702	2	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.7040	0.000	1	114.7040	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.7900	0.000	1	115.0340	0.119	2	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.2780	0.000	1	115.0340	0.119	2	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.9635	0.022	2	113.9635	0.000	2	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1770	0.000	1	110.1770	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.4575	1.143	2	113.1239	0.344	7	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.9904	0.334	5	113.1239	0.344	7	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.9820	0.000	1	114.6625	0.370	4	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.7520	0.000	1	114.6625	0.370	4	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.9580	0.062	2	114.6625	0.370	4	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.5660	0.000	1	114.5906	0.312	11	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.3360	0.314	2	114.5906	0.312	11	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.8125	0.251	2	114.5906	0.312	11	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.5705	0.265	2	114.5906	0.312	11	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.6232	0.431	4	114.5906	0.312	11	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.4120	0.000	1	114.4120	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.6660	0.000	1	112.6660	0.000	1	113.4910	1.736	102	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	111.9789	3.068	1842	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){4|H<1>,4|O<2>,5|C<4>}	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	113.8400	0.000	1	112.7835	2.232	2	113.1430	1.504	3	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	111.7270	0.000	1	112.7835	2.232	2	113.1430	1.504	3	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	113.8620	0.000	1	113.8620	0.000	1	113.1430	1.504	3	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[3,5]C[5,6]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	110.2650	0.000	1	110.2650	0.000	1	110.7493	3.666	4	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	112.2030	0.000	1	112.2450	0.004	2	110.7493	3.666	4	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	112.2870	0.000	1	112.2450	0.004	2	110.7493	3.666	4	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H){2|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	108.2420	0.000	1	108.2420	0.000	1	110.7493	3.666	4	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	110.7500	0.000	1	110.7500	0.000	1	110.2180	0.267	3	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	109.9520	0.330	2	109.9520	0.109	2	110.2180	0.267	3	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HO)(H){6|H<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	111.5639	3.241	13	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:2:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C-2:C-2:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	108.5640	0.086	2	108.5640	0.007	2	108.5640	0.007	2	108.5640	0.007	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	110.9585	0.531	2	110.9585	0.282	2	110.9585	0.282	2	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	114.4085	0.185	2	114.4085	0.034	2	114.4085	0.034	2	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:N-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NC){1|N<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8290	0.000	1	110.8290	0.000	1	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0780	0.000	1	112.4660	0.301	2	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.8540	0.000	1	112.4660	0.301	2	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4010	0.000	1	112.8500	0.453	4	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0470	0.000	1	112.8500	0.453	4	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8690	0.000	1	112.8500	0.453	4	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.0830	0.000	1	112.8500	0.453	4	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0747	1.643	3	112.0747	2.701	3	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6670	0.000	1	113.6670	0.000	1	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2548	0.375	6	112.2548	0.141	6	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2208	0.391	6	110.2208	0.153	6	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2340	0.000	1	113.4353	1.108	3	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	114.0360	0.228	2	113.4353	1.108	3	112.0082	1.752	26	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6]){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1030	0.443	2	108.1030	0.196	2	108.1030	0.196	2	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.3625	0.153	2	114.3625	0.024	2	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4910	0.000	1	110.4910	0.000	1	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.8000	0.000	1	113.8000	0.000	1	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.2830	0.000	1	113.4703	1.208	3	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.0640	0.549	2	113.4703	1.208	3	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.6410	0.000	1	112.6410	0.000	1	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OO){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6280	0.000	1	111.6280	0.000	1	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OSi){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4750	0.000	1	111.4750	0.000	1	112.9171	2.002	10	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<4>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0190	0.000	1	109.0190	0.000	1	109.0190	0.000	1	111.9584	2.749	50	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5650	0.638	2	110.5650	0.407	2	110.5650	0.407	2	110.8810	0.242	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3570	0.000	1	111.3570	0.000	1	110.8265	0.563	2	110.8810	0.242	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH){1|N<3>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2960	0.000	1	110.2960	0.000	1	110.8265	0.563	2	110.8810	0.242	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO){1|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0050	0.000	2	111.0050	0.000	2	111.0050	0.000	2	110.8810	0.242	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	110.8810	0.242	7	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.8325	0.151	4	110.8325	0.023	4	110.6732	0.154	8	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.9625	0.012	2	110.5140	0.269	4	110.6732	0.154	8	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.0655	0.040	2	110.5140	0.269	4	110.6732	0.154	8	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	112.2005	0.078	2	112.2005	0.006	2	112.2005	0.006	2	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|O<2>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.5570	0.534	4	111.5570	0.285	4	111.7755	0.222	8	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7270	0.141	2	111.9940	0.107	4	111.7755	0.222	8	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2610	0.120	2	111.9940	0.107	4	111.7755	0.222	8	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8800	0.543	2	111.8800	0.295	2	111.8800	0.295	2	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3000	0.000	1	111.7465	0.175	4	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8953	0.359	3	111.7465	0.175	4	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.2014	0.406	8	111.2014	0.165	8	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2000	0.000	1	110.1225	0.081	4	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0967	0.342	3	110.1225	0.081	4	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1720	0.000	1	111.4036	0.269	20	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3679	0.480	17	111.4036	0.269	20	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.8230	1.000	2	111.4036	0.269	20	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9120	0.000	1	110.9120	0.000	1	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8094	0.411	8	109.8094	0.169	8	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7170	0.000	1	110.1028	0.433	20	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0500	0.655	17	110.1028	0.433	20	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7445	0.569	2	110.1028	0.433	20	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.0935	1.142	4	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.8827	0.452	3	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.3625	0.660	2	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.7430	0.468	3	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6030	0.000	1	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9170	0.000	1	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.7640	0.215	2	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2680	0.000	1	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.6802	0.927	6	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1880	0.000	1	111.4400	0.855	24	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5340	0.000	1	109.5340	0.000	1	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6520	0.000	1	110.6520	0.000	1	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	112.2240	0.000	1	112.2240	0.000	1	110.9084	0.880	92	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[5]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH){1|C<3>,1|S<4>,5|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.2065	1.037	2	114.2065	1.076	2	114.2065	1.076	2	111.0503	1.020	114	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6,6]	C	4:4:4:4:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[5]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH)	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2C)(C[5]C[5]2O)(CCHH){1|C<3>,1|S<4>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	107.9040	1.970	2	107.9040	3.881	2	107.9040	3.881	2	107.9040	3.881	2	111.9669	3.936	4047	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	2:4:2:4:	4:4:3:1:	4:1:1:1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H)	C(C[6,6]O[6,6]C[6]O[6])(H)3	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(CCO)(H){3|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	111.9570	0.000	1	111.9570	0.000	1	112.7376	0.303	5	112.7376	0.303	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	2:4:2:4:	4:4:3:1:	4:1:1:1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	C(C[6,6]O[6,6]C[6]O[6])(H)3	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|Cl<1>,2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	112.9470	0.000	1	112.9327	0.150	4	112.7376	0.303	5	112.7376	0.303	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	2:4:2:4:	4:4:3:1:	4:1:1:1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	C(C[6,6]O[6,6]C[6]O[6])(H)3	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	112.6685	0.211	2	112.9327	0.150	4	112.7376	0.303	5	112.7376	0.303	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	2:4:2:4:	4:4:3:1:	4:1:1:1:	O[6,6]-2:C[6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H)	C(C[6,6]O[6,6]C[6]O[6])(H)3	C[6,6](O[6,6]C[5,6,6])(C[6]C[5,6]CH)(O[6]C[6])(CH3){3|O<2>,4|C<4>}	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]O[6,6]O[6]C)(COO)(H){3|C<4>}	C(C[6,6]O[6,6]C[6]O[6])(H)3	113.4470	0.000	1	112.9327	0.150	4	112.7376	0.303	5	112.7376	0.303	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	111.4330	2.411	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:S[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]S[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]S[6])(H)3	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	111.4330	2.411	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:2:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.9800	0.000	1	113.9800	0.000	1	113.0584	0.622	10	113.0584	0.622	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:2:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.9560	0.763	9	112.9560	0.582	9	113.0584	0.622	10	113.0584	0.622	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:2:3:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(O[6]C[6])(COO)(H){1|O<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.7452	0.333	5	108.7452	0.111	5	109.0088	0.506	6	109.7613	1.764	11	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|Cl<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.3270	0.000	1	110.3270	0.000	1	109.0088	0.506	6	109.7613	1.764	11	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	111.1993	0.799	4	111.1993	0.638	4	111.1993	0.638	4	109.7613	1.764	11	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:F-1:F-1:F-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	109.7613	1.764	11	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	111.5970	0.000	1	111.5970	0.000	1	110.8010	1.267	2	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	110.0050	0.000	1	110.0050	0.000	1	110.8010	1.267	2	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3550	0.157	2	110.3550	0.025	2	110.2807	0.025	4	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0860	0.000	1	110.0860	0.000	1	110.2807	0.025	4	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6a]C[6])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3270	0.000	1	110.3270	0.000	1	110.2807	0.025	4	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	110.8180	0.000	1	110.8180	0.000	1	110.8180	0.000	1	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	110.2320	0.000	1	110.5830	0.093	3	110.5830	0.093	3	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	110.7585	0.035	2	110.5830	0.093	3	110.5830	0.093	3	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{5|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.7780	0.000	1	109.7780	0.000	1	110.7078	1.672	5	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.3675	1.821	2	110.9402	1.869	4	110.7078	1.672	5	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	111.5130	0.990	2	110.9402	1.869	4	110.7078	1.672	5	110.5887	0.629	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	109.8970	0.000	1	109.9215	0.001	4	109.9215	0.001	4	109.9215	0.001	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	109.9297	0.034	3	109.9215	0.001	4	109.9215	0.001	4	109.9215	0.001	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	110.6970	0.000	1	110.6970	0.000	1	110.7643	0.041	4	110.7643	0.041	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	110.6010	0.000	1	110.6010	0.000	1	110.7643	0.041	4	110.7643	0.041	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	110.8795	0.255	2	110.8795	0.065	2	110.7643	0.041	4	110.7643	0.041	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:3:1:	4:1:1:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	111.4372	2.535	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:3:1:	4:4:1:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	110.6890	0.000	1	110.6890	0.000	1	111.5673	3.268	4	111.4372	2.535	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:3:1:	4:4:1:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	111.1640	0.000	1	111.1640	0.000	1	111.5673	3.268	4	111.4372	2.535	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:3:1:	4:4:1:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	110.2020	0.000	1	110.2020	0.000	1	111.5673	3.268	4	111.4372	2.535	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:3:1:	4:4:1:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H)	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(CN[6]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	114.2140	0.000	1	114.2140	0.000	1	111.5673	3.268	4	111.4372	2.535	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[6])(H)3	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:O[6,6]-2:C-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C(C[6,6]C[6,6a]O[6,6]C[6])(H)3	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:2:4:	4:3:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[5,6,6]C)(C[6]C[6,6]HO)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]N[6])(C[6]C[3,6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.4493	0.481	7	110.4493	0.232	7	110.4493	0.232	7	110.7627	0.703	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2{1|N<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	110.7627	0.703	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2	C(C[6,6]N[6,6]C[6]O[6])(H)3	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C(C[6,6]N[6,6]C[6]O[6])(H)3	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	110.7627	0.703	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:O[6]-2:C-4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[5,5,6,6]C)(C[6]C[5,6,6]HO)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.4640	0.000	1	111.4640	0.000	1	111.4640	0.000	1	111.4640	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	3:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	3:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	111.1350	0.000	1	111.1350	0.000	1	110.4557	13.378	3	110.4557	13.378	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	3:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	106.5060	0.000	1	106.5060	0.000	1	110.4557	13.378	3	110.4557	13.378	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	3:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	113.7260	0.000	1	113.7260	0.000	1	110.4557	13.378	3	110.4557	13.378	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]N[6]HH)(C[6]C[6]O)(CH3){3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:3:1:1:	4:2:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:3:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]C)(CCHH){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:3:1:1:	4:4:1:1:	N[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|Mo<7>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8200	0.270	2	108.8200	0.073	2	108.5697	0.224	3	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C)(C[6]C[6,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0690	0.000	1	108.0690	0.000	1	108.5697	0.224	3	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6546	0.635	9	109.6546	0.403	9	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7415	0.197	2	109.7415	0.039	2	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8820	0.000	1	110.8820	0.000	1	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0320	0.000	1	110.0320	0.000	1	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5060	0.276	2	110.6390	0.091	3	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Si<4>,1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9050	0.000	1	110.6390	0.091	3	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7350	0.000	1	110.3260	1.520	3	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6215	1.586	2	110.3260	1.520	3	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7910	0.000	1	108.2295	0.631	2	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6680	0.000	1	108.2295	0.631	2	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8525	0.103	2	110.8525	0.011	2	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9970	0.679	4	109.9970	0.461	4	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0740	0.000	1	110.0740	0.000	1	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8610	0.000	1	110.8610	0.000	1	109.9748	0.732	29	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]N[6])(C[6]Si[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.8403	0.822	33	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	106.7220	0.000	1	108.1705	4.196	2	109.9338	1.892	11	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	109.6190	0.000	1	108.1705	4.196	2	109.9338	1.892	11	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	112.0470	0.000	1	110.4244	0.918	8	109.9338	1.892	11	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	110.3880	0.000	1	110.4244	0.918	8	109.9338	1.892	11	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	109.9050	0.000	1	110.4244	0.918	8	109.9338	1.892	11	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	110.2110	0.907	5	110.4244	0.918	8	109.9338	1.892	11	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	109.5360	0.000	1	109.5360	0.000	1	109.9338	1.892	11	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	110.0804	1.978	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7230	0.000	1	111.7230	0.000	1	111.1191	0.388	9	111.1191	0.388	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6350	0.267	4	111.0436	0.385	8	111.1191	0.388	9	111.1191	0.388	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3670	0.000	1	111.0436	0.385	8	111.1191	0.388	9	111.1191	0.388	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0710	0.000	1	111.0436	0.385	8	111.1191	0.388	9	111.1191	0.388	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1855	0.781	2	111.0436	0.385	8	111.1191	0.388	9	111.1191	0.388	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:4:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	113.0607	0.298	3	113.0607	0.089	3	113.3658	0.253	8	113.3658	0.253	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:4:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	114.2820	0.000	1	114.2820	0.000	1	113.3658	0.253	8	113.3658	0.253	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:4:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	113.6380	0.421	2	113.3655	0.158	4	113.3658	0.253	8	113.3658	0.253	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:3:4:	4:4:4:4:	4:3:1:1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	113.0930	0.013	2	113.3655	0.158	4	113.3658	0.253	8	113.3658	0.253	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	108.6990	1.031	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	108.6990	1.031	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO)	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO){2|Si<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	110.6815	0.094	2	110.6815	0.009	2	110.6815	0.009	2	110.6815	0.009	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]CO)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2	C(C[6,6]C[6,6,6a]C[6]2)(H)3	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6,6a]C[6]2)(H)3	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9360	0.117	2	109.9360	0.014	2	109.9360	0.014	2	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[4,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.4220	0.000	1	109.4220	0.000	1	109.4582	1.570	4	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.2550	0.000	1	109.2550	0.000	1	109.4582	1.570	4	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.0550	0.000	1	108.0550	0.000	1	109.4582	1.570	4	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	111.1010	0.000	1	111.1010	0.000	1	109.4582	1.570	4	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]N[6,6]C[6]2)(H)3	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	C(C[6,6]N[6,6]C[6]2)(H)3	108.9505	0.001	2	108.9505	0.000	2	108.9505	0.000	2	109.4939	0.636	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:2:2:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-2:C-2:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH){1|S<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	111.0470	0.000	1	111.0470	0.000	1	110.2330	1.325	2	110.2330	1.325	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	109.4190	0.000	1	109.4190	0.000	1	110.2330	1.325	2	110.2330	1.325	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	110.8829	0.974	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2020	0.000	1	110.2020	0.000	1	111.0791	0.194	13	110.8829	0.974	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2498	0.527	4	111.1120	0.149	10	111.0791	0.194	13	110.8829	0.974	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8280	0.000	1	111.1120	0.149	10	111.0791	0.194	13	110.8829	0.974	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0586	0.289	5	111.1120	0.149	10	111.0791	0.194	13	110.8829	0.974	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3530	0.238	2	111.3530	0.056	2	111.0791	0.194	13	110.8829	0.974	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	110.8829	0.974	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	107.3460	0.000	1	107.3460	0.000	1	107.3460	0.000	1	107.3460	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	110.0563	1.129	3	109.6450	0.574	8	109.6450	0.574	8	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	109.3982	0.405	5	109.6450	0.574	8	109.6450	0.574	8	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.3930	0.000	1	111.3930	0.000	1	110.7200	0.906	2	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(C[6]H[6]HH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	110.0470	0.000	1	110.0470	0.000	1	110.7200	0.906	2	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	109.3590	0.000	1	109.3590	0.000	1	109.7545	0.313	2	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	110.1500	0.000	1	110.1500	0.000	1	109.7545	0.313	2	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.4350	0.000	1	109.4350	0.000	1	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.1790	0.000	1	109.1790	0.000	1	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.1545	0.023	2	109.7685	0.420	13	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.2152	0.416	5	109.7685	0.420	13	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.8140	0.000	1	109.7685	0.420	13	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.5505	0.620	2	109.7685	0.420	13	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.2610	0.000	1	109.7685	0.420	13	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.0060	0.000	1	109.7685	0.420	13	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.4230	0.000	1	109.7685	0.420	13	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.2110	0.000	1	111.2110	0.000	1	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.4670	0.000	1	107.4670	0.000	1	109.6636	0.793	17	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	109.5145	0.152	2	109.5145	0.023	2	109.8623	0.375	3	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[5a,6]C[6,6]C[6])(H)3	110.5580	0.000	1	110.5580	0.000	1	109.8623	0.375	3	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6,6a]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6,6a]C[6]2)(H)3	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6,6a]C[6]2)(H)3	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.4337	0.782	3	109.4337	0.612	3	109.4337	0.612	3	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8950	0.000	1	108.8950	0.000	1	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	111.3640	0.077	3	111.3640	0.006	3	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8860	0.000	1	108.8860	0.000	1	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2790	0.000	1	108.2790	0.000	1	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	107.2695	0.200	2	107.2695	0.040	2	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4900	0.000	1	109.1115	0.287	2	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7330	0.000	1	109.1115	0.287	2	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5290	0.000	2	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6650	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4557	0.219	4	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0550	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.1110	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8395	0.424	2	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2060	0.889	3	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2097	0.508	4	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5530	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5472	1.255	5	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3970	0.024	2	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7970	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8693	0.386	3	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1490	0.079	2	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5925	0.845	2	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4160	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3900	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6505	0.866	2	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0415	0.489	2	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5990	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4307	0.610	4	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5410	0.000	1	109.1929	1.042	46	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7470	0.000	1	108.7470	0.000	1	109.2023	1.250	57	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,5,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9390	0.000	1	110.9390	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4010	0.000	1	109.4010	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7127	0.551	6	109.6314	0.299	7	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1440	0.000	1	109.6314	0.299	7	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5010	0.000	1	109.8807	0.195	6	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7566	0.358	5	109.8807	0.195	6	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)2(CH3){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7770	0.000	1	109.7770	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3118	1.272	4	110.8265	0.761	10	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3740	0.000	1	110.8265	0.761	10	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9690	0.000	1	110.8265	0.761	10	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1688	0.218	4	110.8265	0.761	10	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5760	0.000	1	109.5760	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2100	0.000	1	109.2100	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6970	0.000	1	108.6970	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0760	0.000	1	108.9355	0.039	2	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7950	0.000	1	108.9355	0.039	2	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[6]HH)(C[6]O[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.2440	0.000	1	108.2440	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3325	0.421	2	111.3325	0.177	2	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6870	0.000	1	109.8020	0.453	4	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9400	0.000	1	109.8020	0.453	4	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2905	0.182	2	109.8020	0.453	4	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0230	0.399	2	109.6913	0.410	3	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0280	0.000	1	109.6913	0.410	3	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2360	0.000	1	109.6830	0.244	6	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6190	0.000	1	109.6830	0.244	6	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1100	0.000	1	109.6830	0.244	6	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8310	0.000	1	109.6830	0.244	6	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6510	0.027	2	109.6830	0.244	6	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2930	0.000	1	110.2930	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7370	0.000	1	111.7370	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4950	0.000	1	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1900	0.000	1	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7490	0.321	2	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6125	0.339	2	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6680	0.000	1	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9955	0.515	2	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7330	0.164	2	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8035	0.197	2	109.7031	0.298	13	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.4860	0.000	1	106.4860	0.000	1	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2(CH3){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6040	0.041	2	110.6040	0.002	2	109.9014	0.861	65	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.1810	0.000	1	108.1810	0.000	1	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.1450	0.000	1	109.1450	0.000	1	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.1760	0.000	1	108.2935	1.558	2	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	107.4110	0.000	1	108.2935	1.558	2	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.4335	0.940	2	109.4335	0.883	2	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	107.3040	0.000	1	107.3040	0.000	1	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.4395	0.325	2	110.4395	0.105	2	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.8870	0.000	1	108.9253	0.497	16	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.5570	0.000	1	108.9253	0.497	16	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.0585	0.381	2	108.9253	0.497	16	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.0754	0.685	7	108.9253	0.497	16	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.7530	0.050	4	108.9253	0.497	16	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.7040	0.000	1	108.9253	0.497	16	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.0080	0.000	1	110.0080	0.000	1	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	107.2690	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	111.2570	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.7290	0.966	4	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.5860	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	107.0690	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.0650	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.0500	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.2030	0.000	2	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.1200	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.4750	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.7970	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	111.4260	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.0838	0.273	4	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.1610	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.9710	1.799	2	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.0500	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.6615	0.757	2	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.6045	0.175	2	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.0140	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	108.9259	0.536	19	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.0417	0.746	6	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.6160	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.7453	0.862	6	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.0680	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	111.8040	0.243	2	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.1560	0.000	1	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.3170	0.139	2	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	109.2189	0.680	32	109.2916	0.809	99	109.2292	0.817	125	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]N[6,6]C[6]2)(H)3	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C(C[6,6]N[6,6]C[6]2)(H)3	109.6580	0.048	2	109.6580	0.002	2	109.6580	0.002	2	109.4311	0.997	287	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	112.3490	0.000	1	112.3490	0.000	1	112.7515	0.324	2	112.7515	0.324	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	113.1540	0.000	1	113.1540	0.000	1	112.7515	0.324	2	112.7515	0.324	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5603	0.142	3	108.5603	0.020	3	108.5632	0.014	4	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5720	0.000	1	108.5720	0.000	1	108.5632	0.014	4	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9080	0.000	1	110.9080	0.000	1	110.8890	0.273	7	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3430	0.836	2	110.9646	0.362	5	110.8890	0.273	7	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3730	0.000	1	110.9646	0.362	5	110.8890	0.273	7	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8820	0.317	2	110.9646	0.362	5	110.8890	0.273	7	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4920	0.000	1	110.4920	0.000	1	110.8890	0.273	7	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(H)3	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.1184	1.472	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	110.5600	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]CH)(C[6]C[5,6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	110.1027	1.134	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7060	0.290	2	110.7060	0.084	2	110.7060	0.084	2	110.1027	1.134	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){2|C<4>,2|H<1>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	115.3430	0.000	1	115.3430	0.000	1	112.0779	2.202	7	112.0779	2.202	7	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8500	0.000	1	111.8500	0.000	1	112.0779	2.202	7	112.0779	2.202	7	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8150	0.000	1	111.3768	0.159	4	112.0779	2.202	7	112.0779	2.202	7	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1620	0.000	1	111.3768	0.159	4	112.0779	2.202	7	112.0779	2.202	7	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2650	0.464	2	111.3768	0.159	4	112.0779	2.202	7	112.0779	2.202	7	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8450	0.000	1	111.8450	0.000	1	112.0779	2.202	7	112.0779	2.202	7	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:2:4:	3:4:1:1:	4:4:1:1:	C[6]-4:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(O[6]C[6,6a])(CCHH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	112.2960	0.000	1	112.2960	0.000	1	112.2960	0.000	1	112.2960	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[4,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	112.2070	0.540	3	112.2070	0.292	3	112.2070	0.292	3	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	112.3620	0.000	1	112.7403	0.192	3	112.7403	0.192	3	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	C[6,6](C[5,6,6]C[5,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	112.9295	0.412	2	112.7403	0.192	3	112.7403	0.192	3	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.2285	1.209	4	111.2285	1.461	4	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	109.0710	0.000	1	109.0710	0.000	1	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.7651	1.103	8	111.9596	1.299	10	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.7375	1.286	2	111.9596	1.299	10	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.6015	0.771	2	111.5197	0.318	3	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.3560	0.000	1	111.5197	0.318	3	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HO)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.4235	0.152	2	112.4235	0.023	2	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.6890	0.000	1	112.6890	0.000	1	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.9260	0.000	1	111.9376	0.124	7	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.2995	0.377	2	111.9376	0.124	7	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.8690	0.406	2	111.9376	0.124	7	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.6410	0.000	1	111.9376	0.124	7	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.6590	0.000	1	111.9376	0.124	7	111.7585	1.051	28	111.8847	0.979	34	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.5710	0.000	1	112.7530	1.338	2	112.4115	0.691	4	112.4115	0.691	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.9350	0.000	1	112.7530	1.338	2	112.4115	0.691	4	112.4115	0.691	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2O)(O[6]C[6,6a])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.0700	0.519	2	112.0700	0.269	2	112.4115	0.691	4	112.4115	0.691	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:2:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6,6]-3:O[6]-2:C-4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6]C[3,6]HO)(C[6,6]C[6]2)(O[6]C[6,6a])(CH3){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H){1|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.2980	0.147	2	112.2980	0.022	2	112.2980	0.022	2	112.2980	0.022	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:3:4:	3:4:2:1:	4:3:1:1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2)(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:3:4:	3:4:4:1:	4:3:1:1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8270	0.000	1	108.8270	0.000	1	108.8270	0.000	1	108.8270	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2400	0.216	2	110.2570	0.551	4	110.2570	0.551	4	110.2570	0.551	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2740	1.267	2	110.2570	0.551	4	110.2570	0.551	4	110.2570	0.551	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:2:4:1:	4:1:1:1:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	111.0573	3.568	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.0040	0.000	1	107.0040	0.000	1	107.0040	0.000	1	111.0573	3.568	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1665	0.104	2	111.9414	0.348	7	111.9414	0.348	7	111.0573	3.568	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.2514	0.314	5	111.9414	0.348	7	111.9414	0.348	7	111.0573	3.568	9	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4490	0.000	1	109.9048	0.216	6	109.9048	0.216	6	109.9048	0.216	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4720	0.000	1	109.9048	0.216	6	109.9048	0.216	6	109.9048	0.216	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6540	0.000	1	109.9048	0.216	6	109.9048	0.216	6	109.9048	0.216	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6180	0.275	3	109.9048	0.216	6	109.9048	0.216	6	109.9048	0.216	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	109.4555	0.374	4	109.4555	0.140	4	109.7892	0.662	5	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	111.1240	0.000	1	111.1240	0.000	1	109.7892	0.662	5	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	107.0760	0.262	2	107.0760	0.068	2	107.0760	0.068	2	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.9030	0.000	1	108.9030	0.000	1	108.9030	0.000	1	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	109.0340	0.000	1	109.0355	0.000	2	109.0355	0.000	2	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	109.0370	0.000	1	109.0355	0.000	2	109.0355	0.000	2	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]2C[6])(H)3	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]2C[6])(H)3	107.3020	0.000	1	107.3020	0.000	1	107.3020	0.000	1	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.1442	0.598	4	109.1442	0.358	4	109.0874	0.858	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.5565	0.398	4	109.5565	0.159	4	109.0874	0.858	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,3|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	106.9840	0.000	1	106.9840	0.000	1	109.0874	0.858	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.2330	0.000	1	108.2330	0.000	1	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.5050	0.000	1	109.5050	0.000	1	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,5|C<3>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.3210	0.000	1	110.3210	0.000	1	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.7260	0.000	1	106.7260	0.000	1	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.9285	1.322	2	107.9285	1.747	2	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.9700	0.000	1	107.9700	0.000	1	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.4440	0.000	1	108.4440	0.000	1	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[6,6]C[5]2)(C[6,6]N[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.6240	0.000	1	107.6240	0.000	1	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.8055	0.336	2	109.8055	0.113	2	108.5719	1.446	11	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[5a,6,6]C[6,6]C[6])(H)3	109.8975	0.165	2	109.8975	0.027	2	109.8975	0.027	2	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.1365	0.211	2	105.7180	0.276	4	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.5030	0.000	1	105.7180	0.276	4	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.0960	0.000	1	105.7180	0.276	4	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3070	0.000	1	107.3070	0.000	1	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3640	0.000	1	109.3640	0.000	1	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1020	0.000	1	109.1020	0.000	1	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.6240	0.551	3	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8440	0.655	5	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.7316	0.430	16	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.3165	0.370	2	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1410	0.000	1	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9370	0.000	1	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3543	0.439	3	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4150	0.000	1	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.9110	0.000	1	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.5480	0.000	1	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.7101	0.635	9	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9220	0.561	15	106.9253	0.670	58	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.8070	0.000	1	106.8070	0.000	1	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4400	0.000	1	107.4400	0.000	1	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3910	0.000	1	109.3910	0.764	3	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[3,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8910	0.168	2	109.3910	0.764	3	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6847	0.768	3	107.5980	0.423	4	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3380	0.000	1	107.5980	0.423	4	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4180	0.872	3	109.4180	0.761	3	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7400	0.000	1	108.3309	0.229	9	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4048	0.453	8	108.3309	0.229	9	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8937	0.063	3	109.8937	0.004	3	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0700	0.000	1	110.0700	0.000	1	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3740	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7095	0.555	2	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.9510	0.175	2	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.6034	0.572	9	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8608	0.553	10	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1390	2.004	2	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1360	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4477	0.264	3	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0553	0.513	54	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9240	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3047	0.338	3	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3580	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5350	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1550	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3590	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4465	0.012	2	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4770	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5600	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1690	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3972	0.374	5	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2203	0.413	3	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0650	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3010	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4560	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8003	0.287	3	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3970	0.000	1	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3680	0.217	3	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0444	0.436	7	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4573	0.712	3	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5303	0.868	115	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7430	0.226	2	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5873	0.317	6	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7190	0.577	4	109.7411	0.615	252	109.1253	1.912	342	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6610	0.000	1	107.6610	0.000	1	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9020	0.000	1	109.7750	0.032	2	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6480	0.000	1	109.7750	0.032	2	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	105.8760	0.000	1	105.8760	0.000	1	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7400	0.000	1	110.7400	0.000	1	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3410	0.000	1	109.3410	0.000	1	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2{1|O<1>,2|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3490	0.000	1	109.3490	0.000	1	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|O<1>,2|O<2>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0835	0.466	2	110.0835	0.217	2	109.1871	2.288	9	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	111.3990	0.382	2	111.3990	0.146	2	110.8287	0.486	4	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	110.2585	0.103	2	110.2585	0.011	2	110.8287	0.486	4	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0860	0.000	1	108.0860	0.000	1	110.0457	1.735	4	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9200	0.000	1	110.9200	0.000	1	110.0457	1.735	4	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6650	0.000	1	110.6650	0.000	1	110.0457	1.735	4	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5120	0.000	1	110.5120	0.000	1	110.0457	1.735	4	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8400	0.000	1	108.8400	0.000	1	110.2304	0.735	16	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4060	0.262	2	111.0909	0.083	7	110.2304	0.735	16	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8740	0.212	3	111.0909	0.083	7	110.2304	0.735	16	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]O[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1010	0.035	2	111.0909	0.083	7	110.2304	0.735	16	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1980	0.000	1	109.1980	0.000	1	110.2304	0.735	16	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8933	0.383	3	109.7161	0.082	7	110.2304	0.735	16	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5832	0.104	4	109.7161	0.082	7	110.2304	0.735	16	109.1704	1.873	411	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|C<3>,1|F<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	110.2330	0.000	1	110.2330	0.000	1	110.2213	0.000	3	110.2213	0.000	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	110.2320	0.000	1	110.2155	0.001	2	110.2213	0.000	3	110.2213	0.000	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHHO){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	110.1990	0.000	1	110.2155	0.001	2	110.2213	0.000	3	110.2213	0.000	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.7380	0.083	2	110.7380	0.007	2	110.7380	0.007	2	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.3080	0.000	1	109.3080	0.000	1	108.0660	0.804	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.9470	0.000	1	106.9470	0.000	1	108.0660	0.804	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.5470	0.000	1	108.5470	0.000	1	108.0660	0.804	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.7640	0.086	2	107.7640	0.007	2	108.0660	0.804	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.5665	0.207	2	109.7587	1.859	4	109.4502	1.870	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1600	0.000	1	109.7587	1.859	4	109.4502	1.870	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7420	0.000	1	109.7587	1.859	4	109.4502	1.870	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2160	0.000	1	108.2160	0.000	1	109.4502	1.870	5	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HS)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(SC[6a])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9210	0.000	1	108.9210	0.000	1	109.3985	0.456	2	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HO)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8760	0.000	1	109.8760	0.000	1	109.3985	0.456	2	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	109.2361	1.940	17	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6575	0.272	2	113.6575	0.074	2	114.7448	1.244	10	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.2990	0.000	1	113.4800	0.066	2	114.7448	1.244	10	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	113.6610	0.000	1	113.4800	0.066	2	114.7448	1.244	10	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.5610	0.000	1	115.5610	0.000	1	114.7448	1.244	10	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.4623	0.759	4	115.5224	0.451	5	114.7448	1.244	10	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]2C[6])(H)3	115.7630	0.000	1	115.5224	0.451	5	114.7448	1.244	10	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0180	0.000	1	112.0180	0.000	1	111.5122	0.542	4	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7500	0.000	1	111.7500	0.000	1	111.5122	0.542	4	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8610	0.000	1	111.8610	0.000	1	111.5122	0.542	4	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4200	0.000	1	110.4200	0.000	1	111.5122	0.542	4	113.6169	3.675	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.3590	0.000	1	111.3590	0.000	1	110.8680	0.482	2	110.8680	0.482	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(O[6]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.3770	0.000	1	110.3770	0.000	1	110.8680	0.482	2	110.8680	0.482	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]O)(H)2{3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	112.8030	0.000	1	112.8030	0.000	1	111.3120	1.668	3	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(O[6]S[6])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<3>,2|C<4>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	110.5665	0.037	2	110.5665	0.001	2	111.3120	1.668	3	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]O[6])(H)3	110.7375	0.237	2	110.7375	0.056	2	110.7375	0.056	2	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.0730	0.878	2	111.0730	0.771	2	111.8618	2.352	4	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)2(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6,6])(CH3){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)2(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.2730	0.000	1	111.2730	0.000	1	111.8618	2.352	4	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)2(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]C)2(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.0280	0.000	1	114.0280	0.000	1	111.8618	2.352	4	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.8435	0.029	2	111.8435	0.001	2	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[5,6])(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.9060	0.000	1	110.9060	0.000	1	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	108.9400	0.615	3	108.9400	0.378	3	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	109.7280	0.000	1	109.8181	1.815	7	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	108.7770	0.000	1	109.8181	1.815	7	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	109.2395	0.378	2	109.8181	1.815	7	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.7160	0.000	1	109.8181	1.815	7	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	109.5135	0.633	2	109.8181	1.815	7	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.9575	0.726	2	111.9575	0.527	2	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	112.2610	0.000	1	111.8508	0.582	6	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.7688	0.823	5	111.8508	0.582	6	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.2830	0.853	2	110.2830	0.727	2	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2{1|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.3420	0.000	1	111.3420	0.000	1	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.3713	0.393	4	110.3713	0.154	4	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6,6])(CH3){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	108.4250	0.000	1	108.4250	0.000	1	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.3050	0.000	1	110.3050	0.000	1	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	110.1500	0.437	2	109.4510	0.715	4	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	108.7520	0.000	2	109.4510	0.715	4	110.4437	1.741	34	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:S[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2	C(C[6,6]C[6,6]C[6]S[6])(H)3	C[6,6](C[6,6]C[3,6]S[6]H)(C[6]C[6]HH)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]S[6])(H)3	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.5917	1.786	46	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]C[6]HH)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)2	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:4:4:2:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:C-4:O-2:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(CCCO){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C(C[6,6]C[3x6]C[6]O[6])(H)3	C[6,6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6,6]C[3x6]C[6]O[6])(H)3	112.0170	0.000	1	112.0170	0.000	1	112.0170	0.000	1	111.7856	7.126	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[3,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	111.7856	7.126	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HO)(O[6]C[6,6a])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	114.3760	0.000	1	114.3760	0.000	1	114.3760	0.000	1	111.7856	7.126	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(O[6]C[5,6])(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	107.3630	0.000	1	107.3630	0.000	1	109.6395	10.365	2	111.7856	7.126	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:O[6]-2:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	C(C[6,6]C[6,6]C[6]O[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(H)3	111.9160	0.000	1	111.9160	0.000	1	109.6395	10.365	2	111.7856	7.126	5	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	3:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6,6a]HH)(C[6]C[6]O)(CH3){3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C(C[6,6]C[3x6]C[6]2)(H)3	110.5185	0.148	2	110.5185	0.022	2	110.5185	0.022	2	109.8450	1.372	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-3:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	109.8450	1.372	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	108.2325	0.076	2	108.2325	0.006	2	108.2325	0.006	2	108.2325	0.006	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	3:4:2:1:	4:3:1:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	106.9300	0.576	2	106.9300	0.331	2	106.9300	0.331	2	106.9300	0.331	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3){2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	110.5110	0.000	2	110.5110	0.000	2	110.5110	0.000	2	110.5110	0.000	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.1880	0.000	1	108.0065	0.066	2	108.0065	0.066	2	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.8250	0.000	1	108.0065	0.066	2	108.0065	0.066	2	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3680	0.000	1	108.9920	3.787	2	109.5588	0.715	8	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6160	0.000	1	108.9920	3.787	2	109.5588	0.715	8	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3270	0.000	1	109.6467	0.079	4	109.5588	0.715	8	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|I<1>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8830	0.028	2	109.6467	0.079	4	109.5588	0.715	8	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4940	0.000	1	109.6467	0.079	4	109.5588	0.715	8	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9495	0.029	2	109.9495	0.001	2	109.5588	0.715	8	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.1973	0.829	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHS){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	109.3990	0.807	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]N[6]HH)(C[6]N[6]O)(CHHO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	108.9537	0.141	3	108.9537	0.020	3	108.9537	0.020	3	109.3990	0.807	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	107.0520	0.175	2	107.0520	0.031	2	106.8240	0.171	3	107.4985	1.934	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]O)(CCHH){3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	106.3680	0.000	1	106.3680	0.000	1	106.8240	0.171	3	107.4985	1.934	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	107.4985	1.934	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:3:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS){1|C<3>,1|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	109.8880	0.000	1	109.8880	0.000	1	109.4365	0.408	2	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	108.9850	0.000	1	108.9850	0.000	1	109.4365	0.408	2	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.7290	0.000	1	109.7290	0.000	1	109.2470	0.385	4	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.1390	0.911	2	109.1390	0.829	2	109.2470	0.385	4	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	108.9810	0.000	1	108.9810	0.000	1	109.2470	0.385	4	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[4x6]C[6]2)(H)3	C[6,6](C[4x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[4x6]C[6]2)(H)3	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[5,5,3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,3x6]C[6]2)(H)3	C[6,6](C[5,5,3x6]C[5,5,6,6]N[5,6,6]O[5,5])(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C(C[6,6]C[5,5,3x6]C[6]2)(H)3	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5810	0.000	1	111.5810	0.000	1	111.2065	0.281	2	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8320	0.000	1	110.8320	0.000	1	111.2065	0.281	2	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]B[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4330	0.006	2	110.4330	0.000	2	110.4330	0.000	2	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.2090	0.000	1	108.8393	0.301	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1545	0.073	2	108.8393	0.301	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2140	0.000	1	110.2140	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6550	0.000	1	110.1137	0.339	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8430	0.488	2	110.1137	0.339	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.8860	0.000	1	107.8860	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9485	0.592	2	107.9485	0.350	2	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.1190	0.463	4	107.2351	0.961	11	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.3060	0.085	2	107.2351	0.961	11	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.0115	0.524	2	107.2351	0.961	11	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1583	1.457	3	107.2351	0.961	11	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5935	0.155	2	110.5935	0.024	2	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7070	0.000	1	108.7070	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8710	0.000	1	109.8710	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8700	0.000	1	107.9683	6.315	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.5175	0.016	2	107.9683	6.315	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4880	0.394	5	110.4880	0.155	5	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	105.9930	0.000	1	105.9930	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5100	0.000	1	108.9965	0.177	22	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1730	0.291	2	108.9965	0.177	22	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0572	0.435	6	108.9965	0.177	22	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CH3){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9018	0.430	13	108.9965	0.177	22	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.8680	0.000	1	107.8680	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0260	0.000	1	108.7459	1.469	27	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6500	0.000	1	108.7459	1.469	27	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0318	1.503	11	108.7459	1.469	27	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2044	0.663	12	108.7459	1.469	27	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7190	0.000	1	108.7459	1.469	27	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9410	0.000	1	108.7459	1.469	27	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7150	0.000	1	108.7150	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2290	0.000	1	110.2480	0.003	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3130	0.000	1	110.2480	0.003	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2020	0.000	1	110.2480	0.003	3	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6760	0.000	1	107.6760	0.000	1	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6190	1.939	2	108.5190	1.416	4	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9460	0.000	1	108.5190	1.416	4	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8920	0.000	1	108.5190	1.416	4	108.7708	1.614	93	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	110.1965	0.216	2	110.1965	0.047	2	110.4650	0.240	3	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]N[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	111.0020	0.000	1	111.0020	0.000	1	110.4650	0.240	3	108.9896	1.816	110	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	111.1990	0.000	1	111.1990	0.000	1	111.1990	0.000	1	110.0965	1.057	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	108.3580	0.000	1	108.3580	0.000	1	109.7333	1.538	3	110.0965	1.057	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(OH)(H)2	110.0750	0.000	1	110.0750	0.000	1	109.7333	1.538	3	110.0965	1.057	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	110.7670	0.000	1	110.7670	0.000	1	109.7333	1.538	3	110.0965	1.057	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:S-2:H-1:H-1:	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	C[6,6](C[6]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(SC[6a])(H)2	110.0900	0.774	2	110.0900	0.598	2	110.0900	0.598	2	110.0965	1.057	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	C[6,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	109.2740	0.000	1	109.2740	0.000	1	109.4575	0.067	2	108.7296	2.079	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|B<3>,1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(CCH)(H)2	109.6410	0.000	1	109.6410	0.000	1	109.4575	0.067	2	108.7296	2.079	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	107.3522	1.019	4	107.3522	1.038	4	108.5476	2.474	8	108.7296	2.079	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	109.5410	1.069	3	109.5410	1.143	3	108.5476	2.474	8	108.7296	2.079	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]O[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	110.3490	0.000	1	110.3490	0.000	1	108.5476	2.474	8	108.7296	2.079	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	110.7967	7.283	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:S-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(SC[6a]OO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]O)(CHHS){1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(SC[6a]OO)(H)2	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	110.7967	7.283	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	110.7967	7.283	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:4:2:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	109.8075	0.026	2	109.8075	0.001	2	109.8075	0.001	2	109.8075	0.001	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:4:3:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:C-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCCH){5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	114.3600	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	108.5260	0.000	1	108.5260	0.000	1	110.6283	3.374	3	110.0184	1.522	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HO)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.6795	0.344	2	111.6795	0.119	2	110.6283	3.374	3	110.0184	1.522	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3160	0.000	1	110.3160	0.000	1	109.6524	0.529	5	110.0184	1.522	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0940	0.000	1	110.0940	0.000	1	109.6524	0.529	5	110.0184	1.522	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8230	0.000	1	109.8230	0.000	1	109.6524	0.529	5	110.0184	1.522	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.4490	0.000	1	108.4490	0.000	1	109.6524	0.529	5	110.0184	1.522	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HO)(C[6]O[6]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5800	0.000	1	109.5800	0.000	1	109.6524	0.529	5	110.0184	1.522	8	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HO)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	108.2310	0.168	2	108.2310	0.028	2	108.2310	0.028	2	108.2310	0.028	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	106.6995	0.807	4	106.6995	0.652	4	106.6995	0.652	4	106.6995	0.652	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2100	0.000	1	111.2100	0.000	1	111.0468	6.273	4	111.0468	6.273	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.5820	0.000	1	113.5820	0.000	1	111.0468	6.273	4	111.0468	6.273	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6090	0.000	1	107.6090	0.000	1	111.0468	6.273	4	111.0468	6.273	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7860	0.000	1	111.7860	0.000	1	111.0468	6.273	4	111.0468	6.273	4	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH){4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:3:4:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCH)(H)2	110.8677	0.214	3	110.8677	0.046	3	110.8677	0.046	3	110.8677	0.046	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2{2|N<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1303	0.620	4	109.1303	0.384	4	109.1303	0.384	4	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[5a,6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,2|N<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2725	0.293	2	109.2725	0.086	2	109.2725	0.086	2	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|N<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8284	0.458	27	108.6308	0.553	30	108.5833	0.563	32	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.8190	0.198	2	108.6308	0.553	30	108.5833	0.563	32	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){3|C<3>,4|H<1>,5|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9200	0.000	1	108.6308	0.553	30	108.5833	0.563	32	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2840	0.000	1	107.8700	0.343	2	108.5833	0.563	32	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4560	0.000	1	107.8700	0.343	2	108.5833	0.563	32	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2{2|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	108.5859	0.647	41	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	107.4810	0.141	2	107.4810	0.020	2	107.4810	0.020	2	107.4810	0.020	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.7257	0.207	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9875	0.060	2	107.9875	0.004	2	107.9875	0.004	2	107.7257	0.207	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6])(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6])(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]O[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|N<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6580	0.000	1	108.6580	0.000	1	107.9755	1.087	19	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.1390	0.000	1	107.9875	6.834	2	107.9755	1.087	19	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8360	0.000	1	107.9875	6.834	2	107.9755	1.087	19	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9195	1.394	2	107.9313	0.816	16	107.9755	1.087	19	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1837	0.738	12	107.9313	0.816	16	107.9755	1.087	19	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CH3){4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4290	0.997	2	107.9313	0.816	16	107.9755	1.087	19	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4080	0.431	3	109.4080	0.185	3	109.8105	0.772	4	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0180	0.000	1	111.0180	0.000	1	109.8105	0.772	4	108.3050	1.438	24	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	C(C[6,6]C[6,6]C[6]2)(NCH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN){2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(NCH)(H)2	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3){3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H){4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.2250	0.022	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.2250	0.022	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	107.7200	0.000	1	107.7200	0.000	1	106.5115	2.921	2	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	105.3030	0.000	1	105.3030	0.000	1	106.5115	2.921	2	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	106.8900	0.000	1	106.8900	0.000	1	108.1430	3.140	2	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|Cl<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.3960	0.000	1	109.3960	0.000	1	108.1430	3.140	2	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	C(C[6,6]C[5,3x6]C[6]2)(H)3	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,3x6]C[6]2)(H)3	108.4167	0.484	4	108.4167	0.234	4	108.4167	0.234	4	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	109.5455	0.189	2	109.5455	0.036	2	109.2597	0.263	3	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.6880	0.000	1	108.6880	0.000	1	109.2597	0.263	3	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[3x6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,3|O<2>,5|C<4>}	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.0530	0.000	1	108.0530	0.000	1	106.9127	1.132	3	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.3425	0.561	2	106.3425	0.314	2	106.9127	1.132	3	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.2650	0.000	1	107.2650	0.000	1	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0660	0.000	1	108.0660	0.000	1	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4500	0.000	1	107.4500	0.000	1	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0350	0.000	1	108.0350	0.000	1	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7620	0.000	1	108.2964	0.740	5	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.9945	0.139	2	108.2964	0.740	5	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.2800	0.000	1	108.2964	0.740	5	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4510	0.000	1	108.2964	0.740	5	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3760	0.000	1	108.3437	0.558	6	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0950	0.000	1	108.3437	0.558	6	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7245	0.261	2	108.3437	0.558	6	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3340	0.000	1	108.3437	0.558	6	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8080	0.000	1	108.3437	0.558	6	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6670	0.000	1	107.7710	0.531	8	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1633	0.284	4	107.7710	0.531	8	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6390	0.000	1	107.7710	0.531	8	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.1045	0.021	2	107.7710	0.531	8	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2{3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1375	0.040	2	108.1375	0.002	2	108.0321	0.496	25	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3265	0.647	2	109.3265	0.419	2	109.1750	0.278	3	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8720	0.000	1	108.8720	0.000	1	109.1750	0.278	3	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2{2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.4830	0.000	1	107.4830	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	104.1765	0.052	2	104.1765	0.003	2	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.1980	0.000	1	107.1765	0.001	2	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.1550	0.000	1	107.1765	0.001	2	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5490	0.000	1	107.5490	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.4040	0.000	1	107.4040	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9153	0.793	4	107.9153	0.629	4	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4710	0.000	1	109.4710	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6610	0.000	1	110.6610	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.8500	0.000	1	106.8500	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.7480	0.000	1	106.7480	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0090	0.000	1	110.0090	0.000	1	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9090	0.000	1	108.0730	0.199	3	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1550	0.598	2	108.0730	0.199	3	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9235	1.334	2	108.9235	1.780	2	107.7432	2.601	21	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6150	0.472	2	108.6150	0.223	2	108.4147	0.387	8	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.7750	0.000	1	107.7750	0.000	1	108.4147	0.387	8	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.2420	0.000	1	107.2420	0.000	1	108.4147	0.387	8	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8285	0.211	2	108.8285	0.045	2	108.4147	0.387	8	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]N[6]HH)2(CH3){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7070	0.250	2	108.7070	0.063	2	108.4147	0.387	8	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3515	0.442	2	109.3515	0.195	2	109.3515	0.195	2	108.0506	1.371	75	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	107.3850	1.345	4	107.3850	1.809	4	108.0981	2.501	14	108.1084	2.324	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	109.3328	1.043	5	109.3328	1.088	5	108.0981	2.501	14	108.1084	2.324	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	107.0170	1.570	4	107.0170	2.466	4	108.0981	2.501	14	108.1084	2.324	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	109.1020	0.000	1	109.1020	0.000	1	108.0981	2.501	14	108.1084	2.324	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.1084	2.324	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:2:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-2:C-2:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	108.0955	0.623	2	108.0955	0.388	2	108.0955	0.388	2	108.0955	0.388	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:B-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	107.9105	4.697	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|Br<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	106.3780	0.000	1	106.3780	0.000	1	106.3780	0.000	1	107.9105	4.697	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	109.3550	0.000	1	109.3550	0.000	1	109.3550	0.000	1	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	110.3400	0.000	1	112.2450	2.724	3	112.2450	2.724	3	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	113.1975	0.073	2	112.2450	2.724	3	112.2450	2.724	3	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	112.3660	0.000	1	112.1752	0.040	5	111.7700	1.017	6	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	112.1275	0.194	4	112.1752	0.040	5	111.7700	1.017	6	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	109.7440	0.000	1	109.7440	0.000	1	111.7700	1.017	6	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,1|N<3>,3|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	111.9040	0.000	1	111.9040	0.000	1	111.4675	0.381	2	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,1|N<3>,3|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	111.0310	0.000	1	111.0310	0.000	1	111.4675	0.381	2	111.3452	2.557	13	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	109.1557	0.189	3	108.8711	0.568	8	109.6279	1.781	13	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	108.7004	0.937	5	108.8711	0.568	8	109.6279	1.781	13	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	109.1470	0.000	1	109.1470	0.000	1	109.6279	1.781	13	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	111.2618	0.798	4	111.2618	0.637	4	109.6279	1.781	13	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	110.7750	0.000	1	111.6530	1.542	2	111.6530	1.542	2	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	112.5310	0.000	1	111.6530	1.542	2	111.6530	1.542	2	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6]HH)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2100	0.000	1	108.1030	2.451	2	108.3217	1.292	6	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9960	0.000	1	108.1030	2.451	2	108.3217	1.292	6	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6570	0.195	2	107.8910	0.183	3	108.3217	1.292	6	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3590	0.000	1	107.8910	0.183	3	108.3217	1.292	6	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0510	0.000	1	110.0510	0.000	1	108.3217	1.292	6	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6070	0.000	1	107.6070	0.000	1	107.3988	0.040	4	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5190	0.000	1	107.3420	0.063	2	107.3988	0.040	4	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.1650	0.000	1	107.3420	0.063	2	107.3988	0.040	4	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.3040	0.000	1	107.3040	0.000	1	107.3988	0.040	4	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0597	1.688	3	111.0597	2.850	3	110.7251	1.313	10	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7190	0.000	1	110.7190	0.000	1	110.7251	1.313	10	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4060	0.000	1	109.4060	0.000	1	110.7251	1.313	10	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3900	1.039	2	111.3900	1.080	2	110.7251	1.313	10	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6590	0.000	1	109.6590	0.000	1	110.7251	1.313	10	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4400	0.000	1	110.7540	0.941	2	110.7251	1.313	10	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0680	0.000	1	110.7540	0.941	2	110.7251	1.313	10	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8210	0.000	1	108.8210	0.000	1	108.7755	0.004	2	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7300	0.000	1	108.7300	0.000	1	108.7755	0.004	2	109.4690	2.511	40	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8412	0.133	5	108.7603	0.053	6	108.9581	0.283	12	108.9581	0.283	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3560	0.000	1	108.7603	0.053	6	108.9581	0.283	12	108.9581	0.283	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1625	0.443	2	109.1625	0.197	2	108.9581	0.283	12	108.9581	0.283	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6520	0.492	2	108.6520	0.242	2	108.9581	0.283	12	108.9581	0.283	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3380	0.000	1	109.6530	0.938	2	108.9581	0.283	12	108.9581	0.283	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9680	0.000	1	109.6530	0.938	2	108.9581	0.283	12	108.9581	0.283	12	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H){3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	105.9300	0.000	1	108.2953	1.001	10	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5581	0.591	9	108.2953	1.001	10	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9410	0.000	1	108.9410	0.000	1	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7450	0.000	1	108.7450	0.000	1	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8997	0.356	3	109.2148	0.651	15	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.4220	0.738	2	109.2148	0.651	15	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8570	0.000	1	109.2148	0.651	15	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5223	0.546	3	109.2148	0.651	15	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3730	0.140	2	109.2148	0.651	15	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1273	0.502	4	109.2148	0.651	15	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6830	0.000	1	109.6830	0.000	1	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.8070	0.000	1	107.0506	3.558	5	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.8615	2.123	4	107.0506	3.558	5	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1270	0.461	2	108.1270	0.213	2	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4100	0.000	1	111.4100	0.000	1	108.6517	1.735	36	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	108.7217	1.834	38	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.2195	0.517	2	108.3830	0.214	3	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.7100	0.000	1	108.3830	0.214	3	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.9830	0.000	1	108.9830	0.000	1	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	109.9530	0.000	1	110.6047	0.563	3	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	110.4360	0.000	1	110.6047	0.563	3	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	111.4250	0.000	1	110.6047	0.563	3	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.4260	0.000	1	108.9130	0.474	2	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	109.4000	0.000	1	108.9130	0.474	2	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	110.0903	0.359	3	110.0903	0.129	3	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{2|O<2>,3|C<3>,3|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	105.9320	0.000	1	105.9320	0.000	1	109.2288	1.956	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	107.2070	0.000	1	108.9750	6.252	2	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	110.7430	0.000	1	108.9750	6.252	2	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	113.8427	0.516	3	113.3681	0.314	8	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	113.0834	0.383	5	113.3681	0.314	8	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	110.9830	0.462	3	111.0952	0.193	4	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	111.4320	0.000	1	111.0952	0.193	4	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	110.5670	0.000	1	110.5670	0.000	1	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	108.3380	0.000	1	109.6900	3.656	2	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	111.0420	0.000	1	109.6900	3.656	2	111.7190	3.789	17	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	104.6010	0.006	2	104.6010	0.000	2	106.4583	10.349	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	110.1730	0.000	1	110.1730	0.000	1	106.4583	10.349	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>,4|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2{3|O<2>,6|C<4>}	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	109.5520	0.031	2	109.5520	0.001	2	109.5520	0.001	2	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.7150	0.000	1	108.9499	0.299	20	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	109.0064	0.415	7	108.9499	0.299	20	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	109.0671	0.679	9	108.9499	0.299	20	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.9360	0.000	1	108.9499	0.299	20	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.3490	0.151	2	108.9499	0.299	20	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.2250	0.638	2	108.2250	0.407	2	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.1560	0.000	1	107.1547	0.759	3	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	106.6540	0.122	2	107.1547	0.759	3	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	107.8115	0.173	4	107.8115	0.030	4	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.5060	0.000	1	108.6515	0.042	2	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	108.7970	0.000	1	108.6515	0.042	2	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	107.5220	0.000	1	107.5220	0.000	1	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6,6]C[3x6]C[6,6]C[6])(H)3	110.4520	0.000	1	110.4520	0.000	1	108.5889	0.744	33	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	107.3260	0.000	1	107.3395	0.000	2	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	107.3530	0.000	1	107.3395	0.000	2	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HO)(CH3){3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	108.9830	0.000	1	108.9830	0.000	1	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|Cl<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.0700	0.000	1	109.0700	0.000	1	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.0860	0.000	1	109.0860	0.000	1	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.8110	0.000	1	109.8110	0.000	1	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	105.7080	0.000	1	105.7080	0.000	1	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	110.0700	0.000	1	109.4320	0.814	2	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	108.7940	0.000	1	109.4320	0.814	2	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C(C[6,6]C[3x6]C[6]2)(H)3	110.9360	0.000	1	110.9360	0.000	1	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[3x6]C[6]2)(H)3	112.4990	0.000	1	112.4990	0.000	1	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.1910	0.000	1	108.1960	1.980	2	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	107.2010	0.000	1	108.1960	1.980	2	108.9252	3.117	13	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C(C[6,6]C[4,6,6]C[6]2)(H)3	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[4,6,6]C[6]2)(H)3	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	107.8570	0.000	1	107.8570	0.000	1	107.9633	0.674	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[4x6]C[6])(H)3	108.0165	1.153	2	108.0165	1.330	2	107.9633	0.674	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,6|H<1>,7|C<4>}	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[4x6]C[6,6]C[6])(H)3	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,3x6]C[6]2)(H)3	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,3x6]C[6]2)(H)3	108.8967	0.242	4	108.8967	0.059	4	108.1892	2.547	5	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,3x6]C[6]2)(H)3	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[5,3x6]C[6]2)(H)3	105.3590	0.000	1	105.3590	0.000	1	108.1892	2.547	5	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[5,5,6,6]C[6,6]C[6])(H)3	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	108.0980	0.000	1	108.0980	0.000	1	108.4763	0.202	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	108.9730	0.000	1	108.9730	0.000	1	108.4763	0.202	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	C[6,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,5,6]C[6,6]C[6])(H)3	108.3580	0.000	1	108.3580	0.000	1	108.4763	0.202	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[5,6,6]C[5,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]O[5])(C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2{1|N<3>,2|O<2>,5|C<4>}	C(C[6,6]C[5,6,6]C[5,6]C[6])(H)3	107.2325	0.060	2	107.2325	0.004	2	107.2325	0.004	2	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[3,5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.1550	0.587	3	110.1550	0.345	3	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	104.0452	0.530	4	104.0452	0.280	4	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.8720	0.000	1	109.8720	0.000	1	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	107.6620	0.148	2	107.8804	0.491	5	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	108.9130	0.000	1	107.8804	0.491	5	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	107.5825	0.776	2	107.8804	0.491	5	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	107.5360	0.697	2	107.5360	0.486	2	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	107.9630	0.000	1	107.9630	0.000	1	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	108.2050	0.202	2	108.2050	0.041	2	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	108.5740	0.000	1	108.5740	0.000	1	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	106.6620	0.000	1	106.2905	0.276	2	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	105.9190	0.000	1	106.2905	0.276	2	107.4533	4.239	21	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.6175	0.504	2	107.6175	0.254	2	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.9210	0.000	1	107.9210	0.000	1	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.3220	0.000	1	107.3220	0.000	1	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.1490	0.000	1	108.1490	0.000	1	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	105.3340	0.000	1	105.2175	0.027	2	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	105.1010	0.000	1	105.2175	0.027	2	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.5953	0.343	3	108.5953	0.117	3	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.8620	1.374	3	108.7896	1.097	5	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CH3){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.6810	0.758	2	108.7896	1.097	5	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	106.4830	0.000	1	106.4830	0.000	1	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	108.5080	0.000	1	107.7910	0.391	3	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.4325	0.100	2	107.7910	0.391	3	107.8238	1.554	19	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|Br<1>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.1630	0.000	1	109.4291	0.072	7	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.4735	0.265	6	109.4291	0.072	7	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[4,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.7523	0.233	3	108.7523	0.054	3	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.5200	0.000	1	109.5200	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.5060	0.000	1	108.5060	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.7280	0.391	4	108.6562	0.106	6	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.5125	0.098	2	108.6562	0.106	6	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|O<2>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.9500	0.000	1	106.9500	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.2135	0.142	2	108.1962	0.009	4	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5a]C[5,6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.1790	0.076	2	108.1962	0.009	4	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.0380	0.000	1	110.0380	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.6380	0.303	2	107.7327	0.410	29	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.8660	0.064	2	107.7327	0.410	29	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.0450	0.000	1	107.7327	0.410	29	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.1220	0.000	1	107.7327	0.410	29	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.6119	0.575	23	107.7327	0.410	29	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.7495	0.244	8	107.7495	0.060	8	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.5950	0.877	2	108.5950	0.769	2	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.7650	0.027	2	108.3834	0.396	9	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.5690	0.000	1	108.3834	0.396	9	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.9160	0.000	1	108.3834	0.396	9	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.3320	0.000	1	108.3834	0.396	9	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.8440	0.000	1	108.3834	0.396	9	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.8785	0.136	2	108.3834	0.396	9	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.5030	0.000	1	108.3834	0.396	9	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.0510	0.000	1	108.0510	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.5870	0.000	1	107.5870	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|F<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.1460	0.000	1	109.1460	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|B<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.1185	0.405	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.7630	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.0430	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.9810	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.7530	0.228	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.2455	0.064	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.8380	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.8570	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.8940	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.2832	0.619	4	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.2235	0.286	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.6335	0.064	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.6975	0.476	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.2905	0.165	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.4215	0.409	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.2860	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.6290	0.095	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.7190	0.000	2	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.6950	0.000	1	109.0298	1.147	32	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.2220	0.000	1	110.2220	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2{1|C<3>,1|N<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.4740	0.000	1	109.4740	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.6730	0.000	1	107.6730	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.3970	0.000	1	110.3970	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.1185	0.192	2	110.1185	0.037	2	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[3x6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.4960	0.000	1	111.4960	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.0510	0.000	1	108.5209	0.791	12	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.6440	0.266	2	108.5209	0.791	12	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	107.2345	0.026	2	108.5209	0.791	12	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.9630	0.355	5	108.5209	0.791	12	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.9300	0.000	1	108.5209	0.791	12	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.6980	0.000	1	108.5209	0.791	12	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.6210	0.834	2	109.6210	0.696	2	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.5720	0.366	2	109.7243	0.137	3	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.0290	0.000	1	109.7243	0.137	3	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]O[5,6]C[5]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.1125	0.477	2	110.1125	0.228	2	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	110.8440	0.000	1	110.8440	0.000	1	108.6258	1.091	134	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	109.8240	0.000	1	109.8240	0.000	1	109.3240	3.269	4	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	108.0610	0.000	1	109.8625	6.491	2	109.3240	3.269	4	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	111.6640	0.000	1	109.8625	6.491	2	109.3240	3.269	4	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	107.7470	0.000	1	107.7470	0.000	1	109.3240	3.269	4	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	109.0840	0.000	1	109.0840	0.000	1	109.0840	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[3,6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2{1|S<4>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0200	0.000	1	109.0200	0.000	1	109.0200	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5990	0.000	1	109.5990	0.000	1	108.5620	2.151	2	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(CH3){2|O<2>,4|H<1>,7|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2{1|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5250	0.000	1	107.5250	0.000	1	108.5620	2.151	2	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[3,6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6420	0.000	1	109.6420	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3910	0.000	1	109.3910	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7237	1.456	4	108.7237	2.119	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6630	0.000	1	108.1402	0.201	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8050	0.290	2	108.1402	0.201	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2880	0.000	1	108.1402	0.201	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[4,6]C[6]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	111.1660	0.000	1	111.1660	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.5575	0.162	2	106.4375	0.751	10	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7170	0.512	2	106.4375	0.751	10	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.9850	0.334	2	106.4375	0.751	10	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.9640	0.763	4	106.4375	0.751	10	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7830	0.000	1	109.7830	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4140	0.000	1	108.4140	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.0895	0.002	2	106.8228	0.045	12	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.7695	0.189	10	106.8228	0.045	12	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.0250	0.000	1	106.0250	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6770	0.000	1	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0600	0.000	1	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8825	0.093	2	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1110	0.000	1	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4551	0.614	22	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8440	0.000	1	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0620	0.000	1	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2030	0.386	4	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8890	0.000	1	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3580	0.000	1	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8740	0.740	4	108.5407	0.535	39	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.1600	0.000	1	107.1600	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3020	0.547	2	108.3020	0.300	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1040	0.000	1	106.3016	0.665	24	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.2065	0.554	4	106.3016	0.665	24	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.0054	0.701	14	106.3016	0.665	24	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4650	0.000	1	106.3016	0.665	24	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6917	0.709	4	106.3016	0.665	24	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8580	0.000	1	107.8580	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1527	1.421	3	108.1527	2.019	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4740	0.000	1	109.4740	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8300	0.000	1	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6669	0.658	15	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1115	0.189	2	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.4285	0.724	4	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1987	0.566	23	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8837	0.583	3	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.2530	0.515	2	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5995	0.986	4	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9396	0.514	5	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8527	0.138	3	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8110	1.294	3	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0150	0.000	1	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2033	0.459	3	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3330	0.929	3	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.7250	0.000	1	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9300	0.000	1	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5025	0.473	2	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5595	0.745	2	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.1905	0.467	32	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.8120	0.000	1	107.6207	0.670	111	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.1530	0.000	1	108.4590	2.705	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2320	0.000	1	108.4590	2.705	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5100	0.000	1	108.4590	2.705	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9410	0.000	1	108.4590	2.705	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3650	0.000	1	107.9630	0.122	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7960	0.000	1	107.9630	0.122	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7280	0.000	1	107.9630	0.122	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3800	0.000	1	108.3800	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6410	0.000	1	108.6410	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[5a]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.3770	0.000	1	106.3770	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0660	0.000	1	107.9960	0.010	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9260	0.000	1	107.9960	0.010	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6370	0.528	2	109.6370	0.278	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4430	0.000	1	107.6972	2.673	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5870	0.000	1	107.6972	2.673	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.3795	0.841	2	107.6972	2.673	4	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8810	0.000	1	108.9485	0.542	6	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1620	0.579	5	108.9485	0.542	6	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8340	0.000	1	107.6055	3.018	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.3770	0.000	1	107.6055	3.018	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9350	0.000	1	109.9350	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2270	0.024	2	109.2270	0.001	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.2460	0.000	1	107.2460	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Br<1>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2730	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5265	0.701	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5790	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0017	0.898	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.9250	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7470	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6002	0.456	11	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.3910	0.303	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9800	0.011	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2330	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7080	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.1360	0.105	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.1880	1.307	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0063	2.080	9	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9043	0.512	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9800	0.123	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0290	0.575	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0328	0.327	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.1150	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6051	1.313	15	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6229	1.141	7	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4660	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9820	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4195	0.711	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3510	0.172	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1731	0.773	13	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0940	0.327	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.9785	0.312	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5240	0.068	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3637	0.950	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.2900	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2713	0.481	8	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8259	0.554	23	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4380	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2811	0.297	7	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2070	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.0860	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0785	2.790	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4700	1.373	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3355	0.319	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7030	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5070	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.4610	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3672	1.254	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8920	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4147	0.304	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7910	0.054	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.4680	0.537	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3860	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9853	1.757	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4440	0.325	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9100	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5480	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6831	1.403	8	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.0776	0.749	8	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7265	0.822	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2376	0.819	5	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6029	1.022	7	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1328	0.394	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6385	0.043	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0684	0.997	8	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0777	0.796	8	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2010	0.582	16	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2815	0.740	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9649	0.732	7	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7150	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.2510	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.6380	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.3000	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1213	0.588	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.0260	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.3940	0.000	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6715	2.073	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1590	0.240	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.7590	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3050	0.362	4	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.6110	0.000	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8110	1.711	2	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9882	1.329	177	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|Br<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8310	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4590	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7880	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8770	0.588	8	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){5|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7423	1.130	3	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3400	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1750	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6420	0.000	1	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7366	0.639	43	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7817	0.379	9	108.0184	2.157	529	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8945	1.268	2	108.6815	1.594	19	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.2576	1.304	5	108.6815	1.594	19	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8715	0.346	4	108.6815	1.594	19	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.7780	0.000	1	108.6815	1.594	19	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.8470	0.000	1	108.6815	1.594	19	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.9207	0.621	4	108.6815	1.594	19	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5390	0.298	2	108.6815	1.594	19	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8950	0.000	1	109.8950	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.1770	0.000	1	109.1770	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5820	0.000	1	107.8387	0.431	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3400	0.000	1	107.8387	0.431	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2N)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5940	0.000	1	107.8387	0.431	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0375	0.134	2	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.4695	0.667	2	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5350	0.000	1	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.2560	0.000	1	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|Cl<1>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7073	0.327	3	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4320	0.000	1	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|N<3>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5350	0.000	1	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.3680	0.000	1	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7690	0.000	1	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0545	0.442	6	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.7068	0.971	6	108.0640	0.601	25	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3845	0.538	2	109.3845	0.290	2	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.5600	0.000	1	107.5600	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.5276	1.341	5	108.5276	1.798	5	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.0070	0.516	2	108.3546	0.489	7	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	108.0936	0.608	5	108.3546	0.489	7	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1220	0.000	1	107.6609	1.212	7	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.2867	0.196	4	107.6609	1.212	7	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.1785	0.271	2	107.6609	1.212	7	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.7340	0.000	1	109.7340	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C(C[6,6]C[6,6]2C[6])(H)3	109.9160	0.000	1	109.9160	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.8910	0.000	1	109.8910	0.000	1	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.5950	0.000	1	107.8193	2.381	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){7|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9315	0.182	2	107.8193	2.381	3	107.9632	1.845	854	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4900	0.000	1	110.4965	0.000	2	110.0793	0.967	12	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5030	0.000	1	110.4965	0.000	2	110.0793	0.967	12	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9770	0.000	1	109.9770	0.000	1	110.0793	0.967	12	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7106	0.636	5	110.7106	0.405	5	110.0793	0.967	12	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7600	0.000	1	109.7600	0.000	1	110.0793	0.967	12	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1290	0.000	1	108.8893	1.156	3	110.0793	0.967	12	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.2695	0.077	2	108.8893	1.156	3	110.0793	0.967	12	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[3,6]HH)2(CH3){1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5455	0.204	2	107.5455	0.042	2	107.5455	0.042	2	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)2(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1920	0.000	1	111.0915	0.020	2	112.2950	4.355	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)2(H)2{3|C<4>,3|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9910	0.000	1	111.0915	0.020	2	112.2950	4.355	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)2(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]O[6]HO)(CH3){2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)2(H)2{3|C<4>,3|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	114.7020	0.000	1	114.7020	0.000	1	112.2950	4.355	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(Br)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3393	0.779	3	108.3393	0.607	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5610	0.000	1	109.5610	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8200	0.000	1	109.8200	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0110	0.000	1	108.0110	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6190	0.000	1	109.6190	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6120	0.000	1	108.6120	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1750	0.000	1	109.1750	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.0510	0.000	1	107.0510	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2760	0.000	1	108.9230	0.249	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5700	0.000	1	108.9230	0.249	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.4390	0.028	2	107.4390	0.001	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7095	0.515	2	109.7095	0.266	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6910	0.000	1	109.6910	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5340	0.000	1	107.5340	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7180	0.000	1	109.7180	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6080	0.000	1	109.6080	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5975	0.630	2	107.5975	0.397	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4656	0.674	9	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3830	0.000	1	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7466	0.141	5	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5160	0.000	1	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1600	0.000	1	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9750	0.000	1	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7723	0.895	6	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6730	0.000	1	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.3440	0.373	2	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.4340	0.000	1	109.7995	0.760	28	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.8250	0.000	1	107.8250	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4380	0.000	1	109.4380	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0360	0.000	1	111.0360	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2340	0.000	1	110.2340	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5000	1.037	2	111.5000	1.075	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9813	0.786	3	110.9813	0.618	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2603	0.560	21	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0380	1.348	2	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6405	1.054	2	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5240	0.000	1	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.1650	0.000	1	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.8645	1.129	2	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.1250	0.000	1	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.6140	0.000	1	109.7735	2.258	31	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.2418	0.904	5	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5328	0.906	17	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.3810	0.510	3	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9715	0.599	4	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.9410	0.000	1	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1630	0.000	1	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.9560	0.000	1	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6755	1.254	2	107.6679	0.869	34	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5390	0.000	1	110.5390	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5130	0.000	1	108.5130	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2780	0.000	1	109.2780	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6920	0.000	1	110.6920	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2600	0.249	2	110.0853	4.171	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.7360	0.000	1	110.0853	4.171	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)2(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1160	0.000	1	110.1160	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.4610	0.000	1	106.4610	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0850	0.000	2	108.0755	0.000	4	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0660	0.000	2	108.0755	0.000	4	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4030	0.000	1	109.4030	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5890	0.000	1	109.5670	0.001	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5450	0.000	1	109.5670	0.001	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0830	0.000	1	109.0830	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.4220	0.000	1	108.1315	1.007	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8410	0.000	1	108.1315	1.007	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5130	0.000	1	109.5130	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5215	0.581	2	109.5215	0.337	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5875	0.303	2	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9550	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3430	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1040	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1130	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9170	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1050	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2192	1.169	5	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4390	0.470	3	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4150	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6890	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0300	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5340	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8475	0.677	2	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.8495	0.678	2	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6629	0.404	15	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2130	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8953	0.649	6	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.7090	0.000	1	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3640	0.216	3	109.0303	0.760	50	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0380	0.566	2	110.2562	0.406	5	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4017	0.756	3	110.2562	0.406	5	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5890	0.000	1	108.7140	0.787	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8450	0.000	1	108.7140	0.787	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5600	0.434	3	108.7140	0.787	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1375	0.402	2	108.7140	0.787	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.2503	0.432	3	108.7140	0.787	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5260	0.235	2	108.9013	0.124	7	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6600	0.000	1	108.9013	0.124	7	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1435	0.213	2	108.9013	0.124	7	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9860	0.000	1	108.9013	0.124	7	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3240	0.000	1	108.9013	0.124	7	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.4960	0.793	2	108.4960	0.629	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2{3|C<4>,3|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8360	0.000	1	110.8360	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0565	0.602	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9530	0.499	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.4850	0.000	1	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3000	0.359	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9230	0.142	3	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6250	0.000	1	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2337	0.354	6	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0540	0.220	6	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.2005	0.282	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5970	0.297	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0950	0.222	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7215	1.010	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8060	0.531	3	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7125	0.250	2	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5350	0.307	7	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6397	0.586	6	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0750	0.000	1	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.5720	0.000	1	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3777	0.467	10	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7560	0.000	1	109.3719	0.436	62	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1730	0.000	1	109.1023	0.004	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0670	0.035	2	109.1023	0.004	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]BrH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.2430	0.000	1	108.2430	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.1540	0.000	1	109.1540	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0310	0.000	1	108.0310	0.000	1	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.3080	0.000	1	108.2493	0.679	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7200	0.173	2	108.2493	0.679	3	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8217	0.375	3	109.7870	0.099	4	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.6830	0.000	1	109.7870	0.099	4	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.7670	0.129	2	108.8087	0.581	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4885	0.544	2	108.8087	0.581	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5140	0.000	1	108.8087	0.581	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3300	0.000	1	108.8087	0.581	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.7840	0.620	3	108.8087	0.581	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3800	0.000	1	108.8087	0.581	10	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8750	0.000	1	109.8005	0.011	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.7260	0.000	1	109.8005	0.011	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.2640	0.000	1	111.1030	0.052	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9420	0.000	1	111.1030	0.052	2	109.1341	1.348	310	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4040	0.000	1	110.4040	0.000	1	108.5547	2.858	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.0890	0.000	1	107.0890	0.000	1	108.5547	2.858	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1710	0.000	1	108.1710	0.000	1	108.5547	2.858	3	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.0180	0.000	1	106.0180	0.000	1	106.0180	0.000	1	108.3765	2.148	1466	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	108.6817	0.560	4	108.6817	0.314	4	107.7843	3.285	10	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	108.2235	0.349	4	108.2235	0.122	4	107.7843	3.285	10	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	107.3440	0.000	1	105.1110	9.973	2	107.7843	3.285	10	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	102.8780	0.000	1	105.1110	9.973	2	107.7843	3.285	10	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(CHHO){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(OC)(H)2	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	111.3620	0.000	1	111.3620	0.000	1	110.2892	1.332	4	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHHO){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	110.5605	0.298	2	110.5605	0.089	2	110.2892	1.332	4	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]2C[6])(OH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(OH)(H)2	108.6740	0.000	1	108.6740	0.000	1	110.2892	1.332	4	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	110.9090	0.000	1	110.9090	0.000	1	110.7027	2.191	3	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CHHO){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	109.1300	0.000	1	109.1300	0.000	1	110.7027	2.191	3	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	112.0690	0.000	1	112.0690	0.000	1	110.7027	2.191	3	108.8953	4.199	20	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:2:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-2:C-2:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCCH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	109.6440	1.978	2	109.6440	3.914	2	109.6440	3.914	2	109.6440	3.914	2	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	107.7120	0.000	1	107.7120	0.000	1	108.1112	0.121	4	108.5473	0.532	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	108.5290	0.000	1	108.5290	0.000	1	108.1112	0.121	4	108.5473	0.532	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	108.2250	0.000	1	108.1020	0.030	2	108.1112	0.121	4	108.5473	0.532	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(COO)(H)2	107.9790	0.000	1	108.1020	0.030	2	108.1112	0.121	4	108.5473	0.532	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(C[6a]C[6a]2)(H)2	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	108.5473	0.532	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(NCH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]O[6]HH)(CHHN){2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(NCH)(H)2	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	108.5473	0.532	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	112.4530	0.000	1	111.7624	1.923	7	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	110.8350	2.974	2	111.7624	1.923	7	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	112.0110	0.000	1	111.7624	1.923	7	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	112.2320	0.000	1	111.7624	1.923	7	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	111.9855	0.336	2	111.7624	1.923	7	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	108.5500	0.000	1	108.5500	0.000	1	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	108.2735	0.435	2	108.2735	0.189	2	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	109.5920	0.000	1	109.5920	0.000	1	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	109.1585	0.504	2	109.1585	0.254	2	110.4110	3.431	13	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	112.7000	0.000	1	112.7000	0.000	1	111.4080	3.339	2	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	C[6,6](C[5,3x6]N[5,6,6]N[6,6]C[5])(C[6]C[6]HH)2(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	110.1160	0.000	1	110.1160	0.000	1	111.4080	3.339	2	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	109.3090	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	110.1720	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	110.0220	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	111.7680	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	111.4990	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	109.3610	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	110.2743	0.678	7	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	111.2416	0.326	7	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	108.8010	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	111.2540	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	113.4470	0.000	1	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	109.4067	1.232	3	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	109.9237	0.402	8	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,5,6,6]C[5,5]N[5,6]2)(C[6]C[6]HH)2(CCHH){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	111.0955	0.439	8	110.5385	0.974	42	110.5385	0.974	42	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	107.9600	0.089	2	107.9600	0.008	2	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|I<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	107.2370	0.535	2	107.2370	0.286	2	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	109.9380	0.000	1	109.9380	0.000	1	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	109.3380	0.000	1	109.3380	0.000	1	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	112.0165	0.168	2	112.0165	0.028	2	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	110.9045	0.005	2	110.9045	0.000	2	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	108.2600	0.000	1	108.0553	0.246	4	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	107.6855	0.370	2	108.0553	0.246	4	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	108.5900	0.000	1	108.0553	0.246	4	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	108.6205	0.303	2	109.1173	0.787	3	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	110.1110	0.000	1	109.1173	0.787	3	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	110.6590	0.000	1	110.6590	0.000	1	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	108.6200	0.000	2	108.8470	0.069	4	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]N[6])(C[6]C[6]HH)2(CCHH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	109.0740	0.000	2	108.8470	0.069	4	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	110.0075	0.347	2	111.0738	1.563	4	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]N[5,6]C[5]O[6])(C[6]C[6]HH)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	112.1400	0.144	2	111.0738	1.563	4	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	109.6280	0.000	1	110.6640	2.147	2	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]N[5,6]N[6]O[5])(C[6]C[6]HH)2(CCHH){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	111.7000	0.000	1	110.6640	2.147	2	109.5270	2.442	28	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	111.0390	0.000	1	111.0390	0.000	1	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	111.2650	0.000	1	111.2650	0.000	1	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	110.6655	2.925	2	110.6655	8.557	2	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	108.7705	1.016	2	108.7705	1.032	2	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	107.2890	0.000	1	109.2775	7.908	2	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(CCHH){1|C<3>,1|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	111.2660	0.000	1	109.2775	7.908	2	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	108.9590	0.000	1	109.1285	0.684	6	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	109.7477	0.547	3	109.1285	0.684	6	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	107.9560	0.000	1	109.1285	0.684	6	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	108.6130	0.000	1	109.1285	0.684	6	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	114.2510	0.000	1	114.2510	0.000	1	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	112.6537	0.972	3	112.6537	0.944	3	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	111.1580	0.335	2	111.1580	0.112	2	110.4515	3.837	20	110.2730	2.378	106	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	113.8047	0.187	3	113.8047	0.035	3	110.3198	14.698	6	110.3198	14.698	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)2(CCHO){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	106.8350	0.527	3	106.8350	0.278	3	110.3198	14.698	6	110.3198	14.698	6	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	106.1070	0.000	1	107.0010	1.598	2	107.0010	1.598	2	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	107.8950	0.000	1	107.0010	1.598	2	107.0010	1.598	2	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	107.5280	0.000	1	107.5280	0.000	1	108.9333	0.686	6	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.7370	0.000	1	109.3690	0.194	4	108.9333	0.686	6	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	109.5797	0.157	3	109.3690	0.194	4	108.9333	0.686	6	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.5960	0.000	1	108.5960	0.000	1	108.9333	0.686	6	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	110.3690	0.000	1	110.3690	0.000	1	110.7880	0.351	2	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	111.2070	0.000	1	111.2070	0.000	1	110.7880	0.351	2	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	106.5720	0.000	1	106.5720	0.000	1	106.5720	0.000	1	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[4,6,6]C[6]2)(H)3	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6]2)(H)3	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|H<1>,3|O<2>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	106.7800	1.415	3	106.7800	2.003	3	107.2168	2.693	12	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	106.0970	0.085	2	106.0970	0.007	2	107.2168	2.693	12	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	105.7930	0.950	2	105.7930	0.903	2	107.2168	2.693	12	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CH3){3|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	110.1715	0.138	2	110.1715	0.019	2	107.2168	2.693	12	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.3620	0.000	1	107.3797	0.006	3	107.2168	2.693	12	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	107.3885	0.107	2	107.3797	0.006	3	107.2168	2.693	12	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.9130	0.000	1	106.9130	0.000	1	105.9874	1.151	5	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	106.9770	0.000	1	105.6785	3.372	2	105.9874	1.151	5	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	104.3800	0.000	1	105.6785	3.372	2	105.9874	1.151	5	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	105.8335	0.371	2	105.8335	0.138	2	105.9874	1.151	5	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|C<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	110.1200	0.000	1	110.1200	0.000	1	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.4380	0.000	1	109.4380	0.000	1	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){6|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	104.5970	0.000	1	104.5970	0.000	1	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	106.9110	0.000	1	108.3980	1.821	4	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	109.3820	0.000	1	108.3980	1.821	4	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	109.6880	0.000	1	108.3980	1.821	4	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){4|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	107.6110	0.000	1	108.3980	1.821	4	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.5040	0.000	1	105.6423	0.113	3	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	105.7115	0.445	2	105.6423	0.113	3	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CH3){1|O<2>,6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	104.9840	0.000	1	104.9840	0.000	1	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	C(C[6,6]C[6,6]2C[6])(H)3	106.5530	0.000	1	106.5530	0.000	1	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2H)(C[6]C[6]HO)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	107.8080	0.000	1	107.8080	0.000	1	107.2322	3.725	13	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.7930	0.000	1	106.7930	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.0800	0.000	1	108.0800	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	105.7250	0.000	1	105.7250	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3530	0.000	1	109.3530	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	106.2360	0.000	1	106.2360	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.1890	0.000	1	108.1890	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.5905	0.101	2	107.5905	0.010	2	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.2920	0.325	2	108.1297	0.132	3	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.8050	0.000	1	108.1297	0.132	3	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3452	0.465	5	108.2375	0.243	6	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.6990	0.000	1	108.2375	0.243	6	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]HO)(CH3){3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8880	0.000	1	111.8880	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6095	0.091	2	110.6095	0.008	2	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8320	0.000	1	110.4710	1.462	4	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6605	0.197	2	110.4710	1.462	4	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7310	0.000	1	110.4710	1.462	4	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5480	0.000	1	110.5480	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.3490	0.000	1	109.3490	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9755	0.015	2	109.0423	2.613	3	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	107.1760	0.000	1	109.0423	2.613	3	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.9340	0.000	1	110.9340	0.000	1	108.8773	2.541	30	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HS)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.3560	0.028	2	108.3560	0.001	2	108.3560	0.001	2	108.1312	3.484	76	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	109.1110	0.000	1	109.9960	1.566	2	109.8017	0.897	3	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	110.8810	0.000	1	109.9960	1.566	2	109.8017	0.897	3	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	109.4130	0.000	1	109.4130	0.000	1	109.8017	0.897	3	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	106.8216	0.419	5	106.6193	0.386	6	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	105.6080	0.000	1	106.6193	0.386	6	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	106.7570	0.000	1	106.7570	0.000	1	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	108.3680	0.000	1	108.3680	0.000	1	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	107.0150	0.000	1	107.0150	0.000	1	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	112.2105	1.315	2	111.2114	1.347	8	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	110.7777	1.503	3	111.2114	1.347	8	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	110.9790	0.479	3	111.2114	1.347	8	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	106.3150	0.757	2	106.7267	0.795	3	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	107.5500	0.000	1	106.7267	0.795	3	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	108.6530	0.000	1	109.4418	0.495	6	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|H<1>,4|C<4>,4|O<2>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	109.1793	0.228	3	109.4418	0.495	6	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HO)2(CHHO){3|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	110.2300	0.549	2	109.4418	0.495	6	108.7838	4.535	26	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6]O[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(H)2	113.0260	0.000	1	113.0260	0.000	1	113.0260	0.000	1	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]2C[6])(OC)(H)2	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2C[6])(OC)(H)2	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(OC)(H)2	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	109.0239	4.371	32	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	110.7516	1.523	5	110.7516	2.319	5	110.7516	2.319	5	108.8642	5.658	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	106.0230	0.491	2	106.4955	0.463	4	106.9768	1.505	5	108.8642	5.658	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|I<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	106.9680	0.505	2	106.4955	0.463	4	106.9768	1.505	5	108.8642	5.658	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	108.9020	0.000	1	108.9020	0.000	1	106.9768	1.505	5	108.8642	5.658	10	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.8370	0.000	1	109.8690	0.002	2	109.8690	0.002	2	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(COO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	109.9010	0.000	1	109.8690	0.002	2	109.8690	0.002	2	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]C)(COO)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.6590	0.000	1	112.6590	0.000	1	112.6590	0.000	1	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0560	0.000	1	112.0560	0.000	1	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.4560	0.000	1	110.5056	0.871	7	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.1805	0.396	6	110.5056	0.871	7	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.3830	0.000	1	113.3830	0.000	1	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8760	0.000	1	111.2303	0.099	3	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4075	0.103	2	111.2303	0.099	3	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0630	0.000	1	111.0630	0.000	1	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5765	0.709	2	111.5765	0.503	2	111.1257	1.073	15	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(CH3){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	111.0380	1.159	19	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:B-3:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CBHH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(BC[6a]2)(H)2	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.0580	0.000	1	111.0580	0.000	1	111.2110	0.047	2	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[3x6]C[6]2)(H)3	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6]2)(H)3	111.3640	0.000	1	111.3640	0.000	1	111.2110	0.047	2	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[5,3x6]C[6]2)(H)3	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C(C[6,6]C[5,3x6]C[6]2)(H)3	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	112.8107	0.395	3	112.8107	0.156	3	112.8107	0.156	3	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	110.6990	0.000	1	110.6990	0.000	1	111.4665	4.823	6	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	114.2410	0.075	2	114.2410	0.006	2	111.4665	4.823	6	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	109.4460	0.000	1	109.9360	0.480	2	111.4665	4.823	6	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	110.4260	0.000	1	109.9360	0.480	2	111.4665	4.823	6	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	109.7460	0.000	1	109.7460	0.000	1	111.4665	4.823	6	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.6350	0.000	1	108.6350	0.000	1	109.4353	2.193	3	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	108.5270	0.000	1	108.5270	0.000	1	109.4353	2.193	3	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	111.1440	0.000	1	111.1440	0.000	1	109.4353	2.193	3	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[6,6]2C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]2C[6])(H)3	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.6590	0.000	1	108.6590	0.000	1	108.7920	0.035	2	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.9250	0.000	1	108.9250	0.000	1	108.7920	0.035	2	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.5150	0.000	1	110.5150	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	113.3260	0.000	1	113.3260	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.8440	1.563	2	109.8440	2.442	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H){2|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.0080	0.000	1	110.0080	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9850	0.000	1	109.9850	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.0900	0.000	1	111.0900	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6940	0.404	2	111.6940	0.164	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6515	0.609	2	110.6515	0.371	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0180	0.000	1	112.0180	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.7035	0.586	2	110.7035	0.344	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.1705	0.556	2	111.6917	0.248	6	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1900	0.000	1	111.6917	0.248	6	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.5397	0.275	3	111.6917	0.248	6	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.9810	0.000	1	109.9810	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5420	0.000	1	109.5420	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.9810	0.000	1	111.3883	0.094	11	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.3290	0.247	10	111.3883	0.094	11	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6490	0.000	1	111.6490	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.1267	0.115	3	111.1267	0.013	3	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.3490	0.000	1	112.3490	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.6880	0.000	1	112.2690	0.351	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.8500	0.000	1	112.2690	0.351	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.4750	0.000	1	111.4750	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<3>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.6440	0.000	1	110.6440	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6120	0.000	1	111.6120	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.7000	0.000	1	111.7000	0.000	1	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.4040	0.000	1	109.4720	0.009	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.5400	0.000	1	109.4720	0.009	2	111.1731	0.808	46	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	111.6790	0.000	1	111.6790	0.000	1	111.6790	0.000	1	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	111.1586	1.529	68	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	109.6680	0.000	1	109.6740	0.000	2	109.9530	0.234	3	109.9530	0.234	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){2|H<1>,5|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OH)(H)2	109.6800	0.000	1	109.6740	0.000	2	109.9530	0.234	3	109.9530	0.234	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,6,6]C[6]2)(OC)(H)2	110.5110	0.000	1	110.5110	0.000	1	109.9530	0.234	3	109.9530	0.234	3	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	112.0330	0.703	2	112.0330	0.494	2	112.0330	0.494	2	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0000	0.000	1	109.0000	0.000	1	109.5201	0.428	12	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	108.8100	0.000	1	108.8100	0.000	1	109.5201	0.428	12	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0445	0.153	2	109.9060	0.352	7	109.5201	0.428	12	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2870	0.044	2	109.9060	0.352	7	109.5201	0.428	12	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	110.2263	0.056	3	109.9060	0.352	7	109.5201	0.428	12	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6,6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	C(C[6,6]C[6,6]C[6]2)(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]2)(H)3	109.0297	0.172	3	109.0297	0.030	3	109.5201	0.428	12	109.6273	2.096	15	109.0460	2.908	3352	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C(C[6]C[3x6]O[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[3x6]O[6]H)(H)3	113.7180	0.000	1	112.9755	1.103	2	112.9755	1.103	2	112.9755	1.103	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H)	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C(C[6]C[3x6]O[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|N<3>,4|H<1>}	C[3x6](C[6,6]N[5a,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]O[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[3x6]O[6]H)(H)3	112.2330	0.000	1	112.9755	1.103	2	112.9755	1.103	2	112.9755	1.103	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:2:4:1:	4:4:4:4:	4:4:1:1:	C[3x6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:I-1:	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	C[6](C[3x6]C[4,6,6]C[3x6]C)(O[6]C[6])(CCHI)(H){1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:3:4:	4:3:3:4:	4:2:1:1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C)	C(C[6]C[3x6]C[6]2)(OC)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]2)(OC)(H)2	111.8200	0.000	1	111.8200	0.000	1	109.4175	11.544	2	109.4175	11.544	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:3:4:	4:3:3:4:	4:2:1:1:	C[3x6]-4:C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C)	C(C[6]C[3x6]C[6]2)(OH)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]2)(OH)(H)2	107.0150	0.000	1	107.0150	0.000	1	109.4175	11.544	2	109.4175	11.544	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H)	C(C[6]C[6,6a]C[3x6]H)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C(C[6]C[6,6a]C[3x6]H)(H)3	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[6]-3:C-4:F-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H)	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CF)(H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6])	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	111.7685	0.757	2	112.2413	0.957	3	112.2413	0.957	3	112.2413	0.957	3	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6])	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]N[6]CH)(O[6]O[6]){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	113.1870	0.000	1	112.2413	0.957	3	112.2413	0.957	3	112.2413	0.957	3	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	C[5,4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H)	C(C[6]C[6,6a]C[3x6]O)(H)3	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[6]C[6,6a]CO)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]C[3x6]O)(H)3	115.6335	0.122	2	115.6335	0.015	2	115.6335	0.015	2	112.6884	7.255	5	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C(C[6]C[3x6]C[6]O)(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>,4|C<4>}	C[3x6](C[3x6]C[3x6]C[6]C)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[3x6]C[6]O)(H)3	110.6270	0.000	1	110.6270	0.000	1	110.7250	0.047	3	112.6884	7.255	5	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C(C[6]C[3x6]C[6]O)(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[3x6]C[6]O)(H)3	110.7740	0.281	2	110.7740	0.079	2	110.7250	0.047	3	112.6884	7.255	5	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:2:	4:4:4:1:	4:2:1:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C(C[6]C[3x6]C[6]O)(OC)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[3x6]C[6]O)(OC)(H)2	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:2:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[5,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H)	C(C[6]C[3x6]C[6]O)(CCH)(H)2	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(H){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]O)(CCH)(H)2	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:2:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	110.5690	0.000	1	110.5690	0.000	1	110.5265	0.004	2	110.5265	0.004	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:2:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[6]-3:C-4:O-2:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H)	C(C[6]C[3x6]C[6]O)(CH3)2(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[3x6]C[6]O)(CH3)2(H)	110.4840	0.000	1	110.4840	0.000	1	110.5265	0.004	2	110.5265	0.004	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[5,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C(C[6]C[3x6]C[5,6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[3x6]C[5,6]C)(H)3	111.6935	5.402	2	111.6935	29.177	2	111.6935	29.177	2	111.5279	18.508	15	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C(C[6]C[5a,6]C[3x6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C(C[6]C[5a,6]C[3x6]C)(H)3	110.8205	6.356	2	110.9641	18.601	10	110.9641	18.601	10	111.5279	18.508	15	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C(C[6]C[5a,6]C[3x6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[5a,6]C[3x6]C)(H)3	110.6885	6.314	2	110.9641	18.601	10	110.9641	18.601	10	111.5279	18.508	15	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H)	C(C[6]C[5a,6]C[3x6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[5a,6]C[5a,6]N[5a])(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5a,6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C(C[6]C[5a,6]C[3x6]C)(H)3	111.1038	4.167	6	110.9641	18.601	10	110.9641	18.601	10	111.5279	18.508	15	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.8625	6.128	2	111.8625	37.558	2	111.8625	37.558	2	111.5279	18.508	15	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	116.1660	0.000	1	116.1660	0.000	1	116.1660	0.000	1	111.5279	18.508	15	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[5,3x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,6]2C[6])(C[5,6,6]C[5,6]2H)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,2|C<4>,9|H<1>}	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:2:1:	4:4:4:4:	4:3:4:2:	C[3x6]-4:C-4:O[6]-2:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:C-4:O-2:	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	C[6](C[3x6]C[4,6,6]C[3x6]C)(CC[6a]CO)(O[6]C[6])(H){1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H)	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	C(C[6]C[3x6]C[6]H)(CH3)2(H)	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H){2|H<1>,5|C<4>}	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	C(C[6]C[3x6]C[6]H)(CH3)2(H)	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H)	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(C[6]C[6]CH)(H){1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]H)(H)3	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H)	C(C[6]C[3x6]C[6]H)(CCO)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[3x6]HO)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]H)(CCO)(H)2	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H)	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6])	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6]C[6]CH)(O[6]C[6]){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]H)(H)3	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	112.2750	0.000	1	112.6517	0.146	14	112.5486	0.204	29	112.5486	0.204	29	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>,4|O<2>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	112.3210	0.000	1	112.6517	0.146	14	112.5486	0.204	29	112.5486	0.204	29	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	112.3120	0.147	3	112.6517	0.146	14	112.5486	0.204	29	112.5486	0.204	29	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6])	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[3x6](C[6,6]C[6]2H)(C[6,6]O[6]2H)(C[6]C[6]CH)(O[6]O[6]){4|H<1>,5|C<4>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	112.8436	0.340	9	112.6517	0.146	14	112.5486	0.204	29	112.5486	0.204	29	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6])	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]O[6]){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	112.4524	0.501	15	112.4524	0.251	15	112.5486	0.204	29	112.5486	0.204	29	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[3x6]C[6]H)(H)3	114.2460	0.000	1	113.7650	0.463	2	113.7650	0.463	2	113.7650	0.463	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[6]2O[6])(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]H)(H)3	113.2840	0.000	1	113.7650	0.463	2	113.7650	0.463	2	113.7650	0.463	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:2:	4:3:4:2:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:C-2:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN)	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6])	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2)(C[6]C[6]CC)(O[6]O[6]){3|C<4>,7|H<1>}	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	112.2460	0.000	2	112.2460	0.000	2	112.2460	0.000	2	112.2460	0.000	2	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:2:	4:4:4:4:	4:3:1:1:	C[3x6]-4:C[6]-4:C-4:O[6]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]O[6]C)	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6]C[6]O[6]C){2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.7180	3.155	2	111.7180	9.955	2	111.4955	4.040	4	111.4955	4.040	4	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]O)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.2730	1.403	2	111.2730	1.968	2	111.4955	4.040	4	111.4955	4.040	4	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[5,6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H)	C(C[6]C[3x6]C[5,6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[5,3x6]HH)(C[6]C[5,6]CC)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C(C[6]C[3x6]C[5,6]C)(H)3	110.3040	2.640	4	110.3040	6.968	4	110.3040	6.968	4	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	109.7015	1.817	2	109.7015	3.300	2	109.7015	3.300	2	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[5,3x6]O[5]H)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,3|O<2>,6|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.2804	3.756	8	111.2804	14.108	8	111.2804	14.108	8	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2{1|H<1>,2|O<2>,5|C<4>}	C[3x6](C[4x6]C[3,6,6]C[3x6]C[6,6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,4|O<2>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	112.2130	3.291	2	112.2130	10.830	2	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.7975	2.928	2	111.7975	8.574	2	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.7335	2.705	2	111.7335	7.315	2	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.6240	6.792	2	111.6240	46.138	2	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.7455	5.615	2	111.6522	14.228	20	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	112.1520	2.169	2	111.6522	14.228	20	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.5780	3.945	16	111.6522	14.228	20	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.4420	5.848	2	111.8337	18.905	4	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	112.2255	4.680	2	111.8337	18.905	4	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3x6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,3|O<2>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	112.4600	3.642	2	112.4600	13.261	2	111.7657	12.571	34	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[5x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[3x6](C[5x6]C[4x6]2C[6])(C[6,6]C[4x6]HO)(C[6]C[6]CC)(H){3|C<4>,3|O<2>,6|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	111.7105	5.711	2	111.7105	32.619	2	111.7105	32.619	2	111.4863	11.948	50	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[3x6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[6]O[6]C)(C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	112.5914	1.532	10	112.5914	2.348	10	112.5914	2.348	10	112.5914	2.348	10	111.9698	8.479	138	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[4x6]	C	4:4:4:1:	4:3:4:3:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O)	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[4x6]C[6]H)(H)3	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	113.4461	3.963	7	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH)	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(C[6]C[6]CH){1|O<2>,4|C<4>,6|H<1>}	C(C[6]C[4x6]C[6]H)(H)3	113.2210	0.000	1	113.2210	0.000	1	112.7363	0.176	3	112.7363	0.176	3	113.4461	3.963	7	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[4x6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH)	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]Si[6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6]C[4x6]C[6]H)(H)3	112.4940	0.000	2	112.4940	0.000	2	112.7363	0.176	3	112.7363	0.176	3	113.4461	3.963	7	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[4x6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[4x6](C[4x6]C[4x6]O[6,6]H)(C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[4x6]C[6]H)(H)3	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	113.4461	3.963	7	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[4x6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CH3)2	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC)	C(C[6]C[4x6]C[6]C)(H)3	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CH3)2{2|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[4x6]C[6]O)(C[6,6]C[4x6]HO)(C[6,6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,8|H<1>}	C(C[6]C[4x6]C[6]C)(H)3	113.6865	4.200	2	113.6865	17.636	2	113.6865	17.636	2	113.6865	17.636	2	113.4461	3.963	7	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	3:4:2:2:	4:2:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H){2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2{1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6,6]H)(OC)(H)2	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:3:3:4:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH)	C(C[6]C[6,6a]C[6,6]H)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]N[6]2)(C[6]N[6]O)(CC[6a]HH){2|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(F)3	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:3:4:3:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6,6]O)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	C(C[6]C[5a,6]C[6,6]H)(H)3	112.9447	1.251	4	112.9447	1.565	4	112.9447	1.565	4	112.9447	1.565	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:3:4:3:	4:3:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6]-3:C[6]-4:C[6]-3:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[6]O[6]O){2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	118.8660	2.123	2	118.8660	4.506	2	118.8660	4.506	2	118.8660	4.506	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]H)(H)3	108.0410	0.000	1	109.7030	5.524	2	109.7030	5.524	2	109.1287	3.752	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6,6]H)(H)3	111.3650	0.000	1	109.7030	5.524	2	109.7030	5.524	2	109.1287	3.752	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6,6]H)(H)3	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	109.1287	3.752	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6]HO)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]H)(H)3	113.5830	0.858	2	113.5830	0.737	2	113.5830	0.737	2	113.5830	0.737	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:3:1:	4:2:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]C)(H){1|C<3>,2|N<3>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	110.3057	0.873	3	110.3057	0.762	3	110.3057	0.762	3	110.3057	0.762	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	114.8390	0.000	1	114.8400	0.052	3	114.8984	0.184	7	114.3781	2.323	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	115.0680	0.000	1	114.8400	0.052	3	114.8984	0.184	7	114.3781	2.323	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	114.6130	0.000	1	114.8400	0.052	3	114.8984	0.184	7	114.3781	2.323	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CH)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	114.9423	0.571	4	114.9423	0.327	4	114.8984	0.184	7	114.3781	2.323	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	114.3781	2.323	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:2:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(OH)(H)2	117.7560	0.000	1	117.7560	0.000	1	116.7660	1.960	2	115.8930	3.266	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:2:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	115.7760	0.000	1	115.7760	0.000	1	116.7660	1.960	2	115.8930	3.266	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:2:1:1:	N[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H)	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]CH)(C[6]N[6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]N[6,6a]C[6,6]H)(OC)(H)2	114.1470	0.000	1	114.1470	0.000	1	114.1470	0.000	1	115.8930	3.266	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(NOO)(H)2	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:3:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6]CO)(C[6]C[5a,6]CH)(C[6]N[6]HH)(COO){2|C<3>,3|C<4>}	C(C[6]C[5a,6]C[6,6]H)(H)3	115.4420	0.000	1	115.4420	0.000	1	115.4420	0.000	1	115.4420	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6,6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)(CH3){2|C<3>,3|C<4>,7|H<1>}	C(C[6]C[6,6a]C[6,6]H)(H)3	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C(C[6]C[6,6a]C[6,6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6,6]O)(H)3	111.5850	0.000	3	111.5850	0.000	3	111.5850	0.000	3	111.5850	0.000	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:2:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H)	C(C[6]C[5a,6]C[6,6]O)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CO)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]O)(H)3	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:2:	4:4:4:3:	4:2:1:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H)	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]CO)(C[6]C[6]HH)2(C[6]C[6]H){3|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:3:3:2:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:C[6]-3:C[6,6]-3:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6]C[6,6a]O)(C[6,6]C[6]2)(CN){1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	110.0485	1.595	2	110.0485	2.543	2	110.0485	2.543	2	110.0485	2.543	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:3:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]C)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5a,6]CC)(C[6,6]C[6,6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6,6]C)(H)3	108.9355	1.479	2	108.9355	2.186	2	108.9355	2.186	2	108.9355	2.186	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:C[6,6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	109.3870	1.081	4	109.3870	1.168	4	109.3870	1.168	4	109.3870	1.168	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:C[6,6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	110.5750	0.972	2	110.5750	0.944	2	110.5750	0.944	2	110.5750	0.944	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:2:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6,6]C)(OC)(H)2	111.4810	0.000	1	111.4810	0.000	1	110.9575	0.548	2	110.9575	0.548	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:3:1:	4:2:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H)	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CC)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6,6]C)(OH)(H)2	110.4340	0.000	1	110.4340	0.000	1	110.9575	0.548	2	110.9575	0.548	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]C)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C(C[6]C[5a,6]C[6,6]C)(H)3	111.0880	3.670	2	111.1400	15.149	4	111.4509	10.320	10	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]C)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6,6]C)(H)3	111.1920	5.654	2	111.1400	15.149	4	111.4509	10.320	10	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]C)(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[5a,6]C[6,6]C)(H)3	111.6582	3.059	6	111.6582	9.357	6	111.4509	10.320	10	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	110.0750	0.948	2	110.0750	0.898	2	110.0750	0.898	2	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	110.6150	1.888	2	110.5667	1.924	6	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	110.5425	1.420	4	110.5667	1.924	6	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6,6a]CC)(C[6]O[6]HH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	107.8063	1.425	6	107.8063	2.030	6	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	108.1830	3.606	2	108.1315	4.424	4	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	108.0800	0.506	2	108.1315	4.424	4	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	110.3350	2.555	2	110.3350	6.530	2	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	109.3290	0.780	4	109.5102	0.464	6	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	109.8725	0.313	2	109.5102	0.464	6	109.1873	3.151	24	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6]N[5a,6]C[6,6]C)(H)3	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]N[5a,6]C[6,6]C)(H)3	109.9070	0.048	2	110.0298	0.199	6	110.0298	0.199	6	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H)	C(C[6]N[5a,6]C[6,6]C)(H)3	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]N[5a,6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]N[5a,6]C[6,6]C)(H)3	110.0913	0.562	4	110.0298	0.199	6	110.0298	0.199	6	109.8889	4.967	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	3:3:4:1:	4:3:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(COO)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(COO)(H)2	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H)	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[4x6]C[6])(C[6]C[3x6]HO)(C[6]O[6]CH)(H){1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[6,6]O[6]H)(H)3	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	112.8370	7.791	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,3|C<3>,3|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	114.4570	0.000	1	114.4570	0.000	1	114.4570	0.000	1	112.8370	7.791	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H)	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[5,6]O[6,6]H)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	112.8370	7.791	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	117.9590	0.000	1	117.9590	0.000	1	117.9590	0.000	1	117.9590	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]N[5a,6]O)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]O[6]H)(H)3	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:3:4:2:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	117.9590	1.003	2	117.9590	1.005	2	117.9590	1.005	2	116.6317	5.788	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:3:4:2:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH){1|N<2>,5|C<3>}	C(C[6]C[6,6]O[6]H)(H)3	113.9770	0.000	1	113.9770	0.000	1	113.9770	0.000	1	116.6317	5.788	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:3:4:4:	4:2:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C(C[6]C[6,6]O[6]H)(OC)(H)2	C[6](C[6,6]C[5a,6,6]C[3,6,6]C)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]H)(OC)(H)2	119.9710	0.000	1	119.9710	0.000	1	119.9710	0.000	1	119.9710	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]H)(H)3	112.9940	0.380	2	112.7688	0.248	5	112.7688	0.248	5	112.7688	0.248	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]H)(H)3	112.6187	0.583	3	112.7688	0.248	5	112.7688	0.248	5	112.7688	0.248	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H)	C(C[6]C[6,6]O[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]O[6]H)(O[6]B[6])(CHHO)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]B[6])(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]O[6]H)(OC)(H)2	112.8210	1.131	2	112.8210	1.280	2	113.3903	1.612	3	113.3903	1.612	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]O[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]H)(OH)(H)2	114.5290	0.000	1	114.5290	0.000	1	113.3903	1.612	3	113.3903	1.612	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CH)(C[6]O[6]O)(H){4|C<3>}	C(C[6]C[6,6]O[6]H)(H)3	115.3170	0.000	1	115.3170	0.000	1	114.3270	1.960	2	114.3270	1.960	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]N[6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	113.3370	0.000	1	113.3370	0.000	1	114.3270	1.960	2	114.3270	1.960	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]O[6]CH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	115.1942	1.087	4	115.1942	1.182	4	114.9538	2.142	10	114.9538	2.142	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	116.0280	0.000	1	116.0280	0.000	1	114.9538	2.142	10	114.9538	2.142	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	114.0330	0.000	1	114.0330	0.000	1	114.9538	2.142	10	114.9538	2.142	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	116.4425	0.815	2	116.4425	0.665	2	114.9538	2.142	10	114.9538	2.142	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]H)(H)3	112.9075	0.155	2	112.9075	0.024	2	114.9538	2.142	10	114.9538	2.142	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[3]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	117.0800	0.000	1	117.0800	0.000	1	116.3300	1.125	2	116.3300	1.125	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[5]C[6]H)(C[6]O[6]CH)(H){4|H<1>,5|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	115.5800	0.000	1	115.5800	0.000	1	116.3300	1.125	2	116.3300	1.125	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CC[6]HH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	112.2840	0.000	1	112.2840	0.000	1	112.2840	0.000	1	112.2840	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]O[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]O[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(CH3)2(H)	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH)	C(C[6]C[6,6]O[6]H)(OH)(H)2	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6])(CHHO)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]N[6]HH)(C[6]O[6]CH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]O[6]H)(OH)(H)2	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	3:4:4:3:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	112.9290	0.490	6	113.3229	0.963	8	113.3229	0.963	8	113.3229	0.963	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	3:4:4:3:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]CC)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	114.5045	1.348	2	113.3229	0.963	8	113.3229	0.963	8	113.3229	0.963	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	3:4:4:4:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C[6,6](C[6]C[5,6,6]C)(C[6]C[6]HH)2(C[6]O[6]CC)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5,6,6]C)(C[6]C[6]HH)2(C[6]O[6]CC){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.4230	0.891	2	113.4230	0.794	2	113.4230	0.794	2	113.4230	0.794	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	112.6320	0.998	4	112.6320	0.995	4	112.6320	0.995	4	112.4908	0.982	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	112.2085	1.299	2	112.2085	1.687	2	112.2085	1.687	2	112.4908	0.982	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:N[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C(C[6]C[6,6]N[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,3|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	111.3075	0.986	2	111.3075	0.973	2	111.3075	0.973	2	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	114.0015	0.418	2	114.0015	0.175	2	113.1634	2.087	5	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	111.9230	1.745	2	111.9230	3.046	2	113.1634	2.087	5	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.9680	0.000	1	113.9680	0.000	1	113.1634	2.087	5	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	110.5900	0.000	1	110.5900	0.000	1	113.1992	12.313	5	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]O[5])(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.8515	3.685	4	113.8515	13.581	4	113.1992	12.313	5	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	112.9790	0.991	2	112.9790	0.983	2	112.9790	0.983	2	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	113.5195	2.705	2	113.5195	7.315	2	114.1585	6.799	6	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	114.4780	2.913	4	114.4780	8.485	4	114.1585	6.799	6	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	115.7440	0.000	1	115.7440	0.000	1	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	112.9185	2.959	2	112.9185	8.757	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	113.5640	3.605	2	113.5640	12.995	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	112.5255	4.038	2	112.5255	16.308	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	112.4490	0.627	4	112.4490	0.393	4	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]O[6]CC)(C[6]S[6]HH)(H){4|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	113.1310	1.523	2	113.1310	2.320	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	114.3210	2.933	2	114.3210	8.603	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	114.3432	1.699	4	113.4952	3.498	26	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.6165	0.433	2	113.4952	3.498	26	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.1650	1.167	6	113.4952	3.498	26	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.1070	1.137	4	113.4952	3.498	26	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.0895	0.903	2	113.4952	3.498	26	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.5840	2.989	8	113.4952	3.498	26	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	113.3645	1.412	2	113.2700	2.856	6	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	113.2227	2.021	4	113.2700	2.856	6	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6]C)(H)3	111.9380	1.939	2	111.9380	3.759	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]O[6]CC)(C[6]O[6]HH)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	112.2830	1.293	2	112.2830	1.671	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	111.6755	1.589	2	111.6755	2.525	2	113.2217	3.543	53	113.2340	4.035	73	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	109.3970	0.895	2	109.3970	0.801	2	110.6900	5.416	3	110.6194	2.719	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	113.2760	0.000	1	113.2760	0.000	1	110.6900	5.416	3	110.6194	2.719	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]O[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.6194	2.719	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3)	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]O[6]CC)(C[6]O[6]HH)(H){4|C<3>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.6194	2.719	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O[6])(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]O[6])(H)3	115.1890	0.000	1	115.1890	0.000	1	115.1890	0.000	1	115.1890	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:3:4:	3:4:3:1:	4:4:1:1:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.0640	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:3:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6a]C[6])(F)3	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6a]C[6])(F)3	103.3770	0.000	1	103.3770	0.000	1	103.3770	0.000	1	103.3770	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	2:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.6245	0.076	2	113.6245	0.006	2	113.6245	0.006	2	113.6245	0.006	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|S<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	C(C[6]C[6,6a]C[6,6]H)(H)3	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6,6]H)(H)3	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	113.6159	2.025	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7525	1.032	2	113.7525	1.064	2	113.7525	1.064	2	113.6159	2.025	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]H)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	115.7820	0.000	1	115.7820	0.000	1	113.4003	4.966	3	113.6159	2.025	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(CH3)(H){1|N<3>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.3660	0.000	1	111.3660	0.000	1	113.4003	4.966	3	113.6159	2.025	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.0530	0.000	1	113.0530	0.000	1	113.4003	4.966	3	113.6159	2.025	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	113.6159	2.025	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	3:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	112.7000	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.4550	0.000	1	109.8755	0.672	2	109.8755	0.672	2	109.8755	0.672	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,5,6,6]N[6,6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.2960	0.000	1	109.8755	0.672	2	109.8755	0.672	2	109.8755	0.672	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CCHH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	116.0880	0.000	1	116.0880	0.000	1	116.0880	0.000	1	116.0880	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	112.7975	4.254	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:S[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(S[6]C[6])(H){1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.2560	0.000	1	114.2560	0.000	1	114.2560	0.000	1	112.7975	4.254	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	112.7282	3.149	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5450	0.723	2	113.5450	0.522	2	112.6412	4.149	4	112.7282	3.149	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8180	0.000	1	113.8180	0.000	1	112.6412	4.149	4	112.7282	3.149	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.6570	0.000	1	109.6570	0.000	1	112.6412	4.149	4	112.7282	3.149	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C(C[6]C[6,6]C[6]H)(CHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CHO)(H)2	113.4325	3.477	2	113.4325	12.088	2	113.4325	12.088	2	113.5315	4.043	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-3:Cl-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CClCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C(C[6]C[6,6]C[6]H)(CCH)(Cl)(H)	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	113.5315	4.043	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H)	C(C[6]C[6,6]N[6]H)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]N[6]H)(CCH)(H)2	113.5940	0.000	1	113.5940	0.000	1	113.5940	0.000	1	113.5315	4.043	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:3:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCHO)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C(C[6]C[6,6]C[6]H)(CCH)(OC)(H)	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	113.5900	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	113.8899	0.808	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.5687	0.329	4	113.5825	0.176	6	113.5825	0.176	6	113.8899	0.808	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)(H){1|N<4>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.6100	0.744	2	113.5825	0.176	6	113.5825	0.176	6	113.8899	0.808	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:1:	4:4:3:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	117.1850	0.000	1	117.1850	0.000	1	117.1850	0.000	1	117.1850	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CHHS){1|C<3>,1|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	114.4460	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6,6]H)(H)3	115.0740	0.000	1	115.0740	0.000	1	115.0740	0.000	1	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5a,6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[5a,6]C[6,6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[5a,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6]H)(H)3	114.2110	0.412	3	114.2110	0.170	3	114.2110	0.170	3	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.8280	0.000	1	114.8280	0.000	1	114.8280	0.000	1	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(CH3)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5090	0.000	1	113.5090	0.000	1	113.8337	0.113	23	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8284	0.379	15	113.8284	0.144	15	113.8337	0.113	23	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7700	0.000	1	113.7700	0.000	1	113.8337	0.113	23	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8285	0.368	2	113.9118	0.064	6	113.8337	0.113	23	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	113.8730	0.000	1	113.9118	0.064	6	113.8337	0.113	23	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.9803	0.280	3	113.9118	0.064	6	113.8337	0.113	23	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>,3|O<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.9870	0.000	1	113.9870	0.000	1	113.9870	0.000	1	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(H){1|Si<4>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.8775	0.672	2	114.8775	0.452	2	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9650	0.000	1	112.9650	0.000	1	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.7803	0.851	3	112.7803	0.724	3	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.6270	0.676	2	113.6270	0.457	2	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.9270	0.000	1	113.9270	0.000	1	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.0790	0.000	1	111.0790	0.000	1	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.2715	0.491	2	113.2715	0.242	2	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	118.5470	0.000	1	118.5470	0.000	1	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.5110	0.000	1	111.5110	0.000	1	113.5659	3.368	14	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C(C[6]C[6,6]N[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]N[6]H)(H)3	115.3580	0.000	1	112.9323	6.561	3	112.9323	6.561	3	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	C(C[6]C[6,6]N[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	C(C[6]C[6,6]N[6]H)(H)3	111.7195	2.073	2	112.9323	6.561	3	112.9323	6.561	3	113.7699	1.466	46	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H)	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]CH)(C[6]O[6]HO)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	115.7680	0.174	2	115.7680	0.030	2	115.7680	0.030	2	115.7680	0.030	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	112.1270	0.304	2	112.1270	0.092	2	112.1270	0.092	2	112.8882	0.813	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]N[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]N[6]CH)(C[6]O[6]CH)(H){1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[6,6]N[6]H)(COO)(H)2	113.6495	0.170	2	113.6495	0.029	2	113.6495	0.029	2	112.8882	0.813	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	114.7380	0.000	1	114.7380	0.000	1	112.8000	7.512	2	112.8000	7.512	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(OC)(H)	110.8620	0.000	1	110.8620	0.000	1	112.8000	7.512	2	112.8000	7.512	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H)	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6,6](C[5,6]C[5a,6]S[5]2)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	111.8390	0.182	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	111.8390	0.182	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	112.3240	0.000	1	112.3240	0.000	1	112.3240	0.000	1	111.8390	0.182	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]N)(C[6]O[6]O)(CH3)(H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8650	0.000	1	113.8650	0.000	1	113.8650	0.000	1	113.3003	0.806	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.2650	0.000	1	112.2650	0.000	1	113.0180	1.134	2	113.3003	0.806	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7710	0.000	1	113.7710	0.000	1	113.0180	1.134	2	113.3003	0.806	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)(H){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	119.8640	2.011	2	119.8640	4.044	2	119.8640	4.044	2	119.8640	4.044	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6,6]-4:C[6a]-3:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H)	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2)	C(C[6]C[6,6a]C[6,6]H)(Br)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2){6|C<3>,6|H<1>}	C(C[6]C[6,6a]C[6,6]H)(Br)(H)2	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]O)(CHHO)(H){3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|O<1>,2|H<1>,3|C<4>,3|O<2>}	C(C[6]C[6,6]C[6]H)(OC[5])(H)2	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)2	113.9953	1.176	3	113.9953	1.382	3	114.5757	1.634	6	114.3994	0.994	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	115.1560	1.301	3	115.1560	1.692	3	114.5757	1.634	6	114.3994	0.994	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	113.7600	0.000	1	114.1212	0.782	5	114.1883	0.653	6	114.3994	0.994	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	114.2115	0.994	4	114.1212	0.782	5	114.1883	0.653	6	114.3994	0.994	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	114.5240	0.000	1	114.5240	0.000	1	114.1883	0.653	6	114.3994	0.994	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(NHS)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]N)(CHHN)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(NHS)(H)2	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.3994	0.994	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.2400	0.000	1	113.2400	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	115.8450	0.000	1	115.8450	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	114.1668	1.075	5	114.1668	1.155	5	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.4980	0.000	1	113.7644	0.818	5	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	114.0940	0.000	1	113.7644	0.818	5	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.3200	0.000	1	113.7644	0.818	5	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	114.0040	0.000	1	113.7644	0.818	5	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	114.9060	0.000	1	113.7644	0.818	5	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	115.0300	0.000	1	115.0300	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	114.6120	0.000	1	114.6120	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	114.2970	0.000	1	114.2970	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	111.8100	0.000	1	111.8100	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	112.4120	0.000	1	112.4120	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	112.7530	0.000	1	113.4850	1.072	2	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	114.2170	0.000	1	113.4850	1.072	2	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	115.3500	0.127	2	115.3500	0.016	2	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	113.1070	0.000	1	113.1070	0.000	1	113.9854	1.295	22	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CC[6]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH)	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	118.1110	0.000	1	118.1110	0.000	1	118.1110	0.000	1	114.1223	1.933	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	2:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:O-2:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6])	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:3:1:	4:3:1:1:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H)	C(C[6]C[6,6]N[6]O)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]N[6]O)(CCH)(H)2	112.4625	0.110	2	112.4625	0.012	2	112.4625	0.012	2	112.4625	0.012	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H)	C(C[6]C[5,6]C[6,6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC){3|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6,6]O)(H)3	112.0940	0.099	2	112.0940	0.010	2	112.0940	0.010	2	113.4796	2.852	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]O)(H)3	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]C[6,6]O)(H)3	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	113.4796	2.852	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CH3)(NN){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	113.3750	0.000	1	113.3750	0.000	1	113.3750	0.000	1	113.4796	2.852	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.2760	0.000	1	115.2760	0.000	1	115.0387	1.358	3	113.4796	2.852	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	114.9200	1.622	2	114.9200	2.631	2	115.0387	1.358	3	113.4796	2.852	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	112.8097	1.445	3	112.8097	2.087	3	112.5420	1.678	4	112.5420	1.678	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	111.7390	0.000	1	111.7390	0.000	1	112.5420	1.678	4	112.5420	1.678	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:2:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.0200	0.000	1	110.0200	0.000	1	110.0215	0.000	2	110.0215	0.000	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.0230	0.000	1	110.0230	0.000	1	110.0215	0.000	2	110.0215	0.000	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.3205	2.095	4	110.3205	4.390	4	110.3205	4.390	4	110.3205	4.390	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	110.0565	1.275	2	110.0565	1.625	2	110.0565	1.625	2	111.2620	8.901	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]O)(C[6]C[6]CC)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.4675	4.389	2	112.4675	19.263	2	112.4675	19.263	2	111.2620	8.901	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]C)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]C)(CH3)2{2|H<1>,4|C<4>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.0835	0.152	2	110.0835	0.023	2	110.3260	0.073	5	110.3260	0.073	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]N)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]N)(CH3)2{3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|N<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3835	0.094	2	110.3835	0.009	2	110.3260	0.073	5	110.3260	0.073	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6960	0.000	1	110.6960	0.000	1	110.3260	0.073	5	110.3260	0.073	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:2:2:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2	C(C[6]C[6,6]C[6]C)(CCC)(H)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6])2{1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(CCC)(H)2	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.8530	5.718	2	112.8530	32.692	2	112.2072	12.794	12	112.2072	12.794	12	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.7220	4.356	2	110.7220	18.973	2	112.2072	12.794	12	112.2072	12.794	12	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.3035	5.327	2	112.4170	11.925	8	112.2072	12.794	12	112.2072	12.794	12	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6130	3.866	2	112.4170	11.925	8	112.2072	12.794	12	112.2072	12.794	12	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.8757	3.559	4	112.4170	11.925	8	112.2072	12.794	12	112.2072	12.794	12	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[5,6]C[6,6]C)(H)3	110.7635	1.967	4	110.7635	3.867	4	110.7635	3.867	4	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[5a]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[5a]C[6])(H)3	114.5165	0.182	2	114.5165	0.033	2	114.5165	0.033	2	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[6]C[6,6a]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	108.8080	2.860	2	108.8080	8.177	2	108.8080	8.177	2	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4050	1.197	4	111.4739	1.416	12	111.4739	1.416	12	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5084	1.268	8	111.4739	1.416	12	111.4739	1.416	12	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.8915	5.188	2	112.8915	26.916	2	112.8915	26.916	2	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8222	3.887	4	111.8222	15.109	4	111.8222	15.109	4	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6150	3.437	2	110.6150	11.810	2	110.6150	11.810	2	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0340	0.000	1	111.0340	0.000	1	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5945	4.423	2	111.5945	19.563	2	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6820	1.096	2	111.6820	1.201	2	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.6770	0.000	1	114.6770	0.000	1	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0490	0.000	1	112.0490	0.000	1	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6125	3.993	2	111.3780	9.031	4	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1435	3.306	2	111.3780	9.031	4	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.3110	0.000	1	113.3110	0.000	1	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5360	0.103	5	111.5360	0.011	5	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8720	0.000	1	111.8720	0.000	1	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.9270	0.000	1	113.9270	0.000	1	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6520	3.176	2	110.6520	10.089	2	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.0665	4.557	2	113.0665	20.769	2	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.7918	4.431	4	112.7918	19.629	4	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.6620	3.012	6	112.3765	7.775	10	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9483	2.791	4	112.3765	7.775	10	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9350	2.987	8	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0738	3.494	4	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8191	3.371	12	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7602	3.465	6	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0145	3.595	4	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8712	2.774	26	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8875	4.737	2	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6292	3.275	4	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|Cl<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5900	4.139	2	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0370	3.200	2	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.1860	3.864	2	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8067	3.127	6	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7562	3.690	6	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	112.3102	2.854	4	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9107	2.806	46	111.8306	8.405	134	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0898	2.694	10	112.1812	7.141	12	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.6380	3.571	2	112.1812	7.141	12	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3137	3.690	4	111.2515	10.159	8	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.8055	3.845	2	111.2515	10.159	8	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5730	3.855	2	111.2515	10.159	8	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.1770	4.855	2	113.1770	23.571	2	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7215	4.434	2	111.4406	5.836	14	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2950	2.861	2	111.4406	5.836	14	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3405	3.549	4	111.4406	5.836	14	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2460	0.285	4	111.4406	5.836	14	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8945	3.030	2	111.4406	5.836	14	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8230	0.000	1	109.8230	0.000	1	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CH3)2	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CH3)2{1|In<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]In[6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|Br<1>,1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9600	1.919	2	110.9600	3.683	2	111.8511	7.765	210	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C(C[6]C[6,6]N[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	111.3020	1.704	2	111.3020	2.904	2	111.0095	1.193	4	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C(C[6]C[6,6]N[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]N[6]CC)(H){1|S<4>,2|C<4>,4|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	110.7170	0.577	2	110.7170	0.333	2	111.0095	1.193	4	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:S[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]Co)(CH3)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H)	C(C[6]C[6,6]S[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]Co)(CH3)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]S[6]CC)(H){1|Co<5>,2|C<4>,4|H<1>}	C(C[6]C[6,6]S[6]C)(H)3	112.3285	2.518	2	112.3285	6.340	2	112.3285	6.340	2	111.7997	7.404	244	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	108.4970	0.000	1	108.4970	0.000	1	110.4790	7.857	2	110.4790	7.857	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	112.4610	0.000	1	112.4610	0.000	1	110.4790	7.857	2	110.4790	7.857	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCH)(H)2	111.3750	1.058	2	111.3750	1.119	2	111.3750	1.119	2	110.3929	2.570	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(COO)(H)2	109.2660	0.000	1	109.2660	0.000	1	110.8285	4.883	2	110.3929	2.570	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCO)(H)2	112.3910	0.000	1	112.3910	0.000	1	110.8285	4.883	2	110.3929	2.570	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	107.9890	0.000	1	107.9890	0.000	1	109.4477	2.214	3	110.3929	2.570	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(CC[6a]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	110.1770	1.112	2	110.1770	1.236	2	109.4477	2.214	3	110.3929	2.570	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CC[6a]HO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(OC)(H)	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	111.7270	0.000	1	111.7270	0.000	1	110.8685	0.809	6	110.8685	0.809	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	110.6968	0.889	5	110.6968	0.790	5	110.8685	0.809	6	110.8685	0.809	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.8555	1.315	2	110.8555	1.728	2	112.6939	6.896	8	112.6939	6.896	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.6370	3.085	4	113.3067	7.506	6	112.6939	6.896	8	112.6939	6.896	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.6460	2.768	2	113.3067	7.506	6	112.6939	6.896	8	112.6939	6.896	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[5a]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C(C[6]C[6,6]C[5a]C[6])(H)3	112.7340	0.000	1	112.7340	0.000	1	112.7340	0.000	1	112.7340	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:S-2:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]S)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CS)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]S)(H)3	113.7660	0.000	1	113.7660	0.000	1	113.7660	0.000	1	113.7660	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3750	0.000	1	110.5920	0.035	3	110.2519	1.339	7	110.2519	1.339	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.7005	0.018	2	110.5920	0.035	3	110.2519	1.339	7	110.2519	1.339	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.0940	0.000	1	110.0940	0.000	1	110.2519	1.339	7	110.2519	1.339	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3820	0.000	1	111.3820	0.000	1	110.2519	1.339	7	110.2519	1.339	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.2555	2.081	2	109.2555	4.331	2	110.2519	1.339	7	110.2519	1.339	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	2:2:4:3:	4:4:1:1:	C[6]-4:C[6,6]-4:C-4:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	2:2:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:O[6]-2:C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](O[6]C[6,6a])2(C[6]C[6]CH)2{4|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.6635	0.713	2	113.6635	0.509	2	113.6635	0.509	2	113.6635	0.509	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	2:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)2(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.0125	0.100	2	114.0125	0.010	2	114.3337	0.314	3	114.3337	0.314	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	2:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]CO)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.9760	0.000	1	114.9760	0.000	1	114.3337	0.314	3	114.3337	0.314	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	2:4:4:3:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.7890	0.000	1	114.7890	0.000	1	114.7890	0.000	1	114.7890	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(H){4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	113.2780	0.343	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|S<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5360	0.536	2	113.5360	0.287	2	113.5360	0.287	2	113.2780	0.343	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	110.3280	0.000	1	110.3280	0.000	1	112.6352	4.671	4	112.0506	5.212	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	112.9805	2.416	2	112.9805	5.838	2	112.6352	4.671	4	112.0506	5.212	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	114.2520	0.000	1	114.2520	0.000	1	112.6352	4.671	4	112.0506	5.212	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	109.7120	0.000	1	109.7120	0.000	1	109.7120	0.000	1	112.0506	5.212	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9790	0.000	2	112.9790	0.000	2	112.9790	0.000	2	112.9790	0.000	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.0420	0.000	1	112.0420	0.000	1	113.6641	0.467	9	113.6641	0.467	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8268	0.398	4	113.8669	0.111	8	113.6641	0.467	9	113.6641	0.467	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7230	0.000	1	113.8669	0.111	8	113.6641	0.467	9	113.6641	0.467	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.2800	0.000	1	113.8669	0.111	8	113.6641	0.467	9	113.6641	0.467	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8125	0.312	2	113.8669	0.111	8	113.6641	0.467	9	113.6641	0.467	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]Cl)(CH3)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl)	C(C[6]C[5,6]C[6,6]H)(H)3	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]Cl)(CH3)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl){2|C<3>,4|C<4>}	C(C[6]C[5,6]C[6,6]H)(H)3	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.9790	0.498	2	110.4671	0.872	10	110.4671	0.872	10	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){2|O<2>,4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.8730	1.803	2	110.4671	0.872	10	110.4671	0.872	10	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.4620	0.000	1	110.4671	0.872	10	110.4671	0.872	10	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.5450	0.000	1	110.4671	0.872	10	110.4671	0.872	10	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.9900	0.499	4	110.4671	0.872	10	110.4671	0.872	10	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.8150	0.000	1	110.8150	0.000	1	113.1368	6.379	5	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	116.7260	0.000	1	116.7260	0.000	1	113.1368	6.379	5	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.0700	0.000	1	113.0700	0.000	1	113.1368	6.379	5	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.3420	0.000	1	114.3420	0.000	1	113.1368	6.379	5	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.7310	0.000	1	110.7310	0.000	1	113.1368	6.379	5	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:I-1:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	C(C[6]C[6,6]C[6]I)(H)3	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I){3|H<1>,4|C<4>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]I)(H)3	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	111.6333	3.895	19	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	112.0475	0.872	2	112.0475	0.760	2	112.0475	0.760	2	112.5927	1.272	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	112.5927	1.272	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	111.3780	3.391	2	111.3780	11.501	2	111.3780	11.501	2	112.4231	2.480	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	112.8412	0.283	5	112.8412	0.080	5	112.8412	0.080	5	112.4231	2.480	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	120.1160	0.000	1	120.1160	0.000	1	116.6975	23.372	2	116.6975	23.372	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.2790	0.000	1	113.2790	0.000	1	116.6975	23.372	2	116.6975	23.372	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:4:2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	118.1180	0.000	1	118.1180	0.000	1	117.0635	2.224	2	117.0635	2.224	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:1:	4:4:4:2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	116.0090	0.000	1	116.0090	0.000	1	117.0635	2.224	2	117.0635	2.224	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH)	C(C[6]C[5,6]C[6,6]H)(H)3	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH){2|C<3>,4|C<4>}	C(C[6]C[5,6]C[6,6]H)(H)3	109.9814	0.324	5	109.9814	0.105	5	109.9814	0.105	5	110.7159	1.817	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	110.7159	1.817	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:S[6]-2:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6])	C(C[6]C[6,6]C[6]H)(F)3	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(F)3	113.2740	0.000	1	113.2740	0.000	1	113.2740	0.000	1	110.7159	1.817	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:3:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	114.3000	0.000	1	114.3000	0.000	1	114.3000	0.000	1	114.3000	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.5700	0.000	1	114.4767	0.346	4	114.1492	0.796	5	114.1492	0.796	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.6245	0.913	2	114.4767	0.346	4	114.1492	0.796	5	114.1492	0.796	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.0880	0.000	1	114.4767	0.346	4	114.1492	0.796	5	114.1492	0.796	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.8390	0.000	1	112.8390	0.000	1	114.1492	0.796	5	114.1492	0.796	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	114.1270	0.000	1	114.1270	0.000	1	114.3720	0.120	2	114.3720	0.120	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	3:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	114.6170	0.000	1	114.6170	0.000	1	114.3720	0.120	2	114.3720	0.120	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:2:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C[6]-3:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6]C[6]CH)(O[6]C[5,6])(C[6]C[6]H)(O[6]C[6]){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.3610	0.676	2	112.3610	0.457	2	112.3610	0.457	2	112.3610	0.457	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:2:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]HH)(O[6]C[6,6a])(C[6]C[6]CH)(O[6]C[6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.0250	0.146	6	113.0250	0.021	6	113.0250	0.021	6	113.0250	0.021	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:2:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O[6]-2:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]O)(O[6]C[6])2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.4140	0.000	1	112.4140	0.000	1	112.4140	0.000	1	112.4140	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H)	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]N[6,6]C[6]H)(CH3)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6,6]H)(H)3	109.3750	0.000	2	109.3750	0.000	2	109.3750	0.000	2	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6,6]C[5a,6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	115.2370	0.000	1	115.2370	0.000	1	115.2370	0.000	1	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8880	0.000	1	112.8125	2.313	2	112.8125	2.313	2	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.7370	0.000	1	112.8125	2.313	2	112.8125	2.313	2	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.2700	0.000	1	115.2700	0.000	1	113.3805	7.140	2	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.4910	0.000	1	111.4910	0.000	1	113.3805	7.140	2	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.7878	0.976	4	112.2335	1.111	8	112.2335	1.111	8	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.8387	1.038	3	112.2335	1.111	8	112.2335	1.111	8	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.2010	0.000	1	112.2335	1.111	8	112.2335	1.111	8	112.1272	3.425	17	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	115.3820	0.000	1	114.1210	3.180	2	114.1210	3.180	2	114.1210	3.180	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	112.8600	0.000	1	114.1210	3.180	2	114.1210	3.180	2	114.1210	3.180	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	113.5865	0.453	2	113.5865	0.205	2	113.5865	0.205	2	113.5865	0.205	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.9175	0.395	2	114.9175	0.156	2	114.9175	0.156	2	114.9175	0.156	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6]C[3,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.5580	0.000	1	114.5580	0.000	1	114.3135	0.216	4	114.3135	0.216	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.6410	0.000	1	114.6410	0.000	1	114.3135	0.216	4	114.3135	0.216	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.4250	0.000	1	114.4250	0.000	1	114.3135	0.216	4	114.3135	0.216	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HO)(C[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.6300	0.000	1	113.6300	0.000	1	114.3135	0.216	4	114.3135	0.216	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){1|O<2>,3|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	113.1560	0.000	1	113.8060	0.845	2	112.6396	2.284	5	112.6396	2.284	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	114.4560	0.000	1	113.8060	0.845	2	112.6396	2.284	5	112.6396	2.284	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|H<1>,2|O<2>,6|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	111.2090	1.095	2	111.2090	1.198	2	112.6396	2.284	5	112.6396	2.284	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	113.1680	0.000	1	113.1680	0.000	1	112.6396	2.284	5	112.6396	2.284	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	112.7630	0.693	2	112.7630	0.480	2	112.9768	0.288	5	112.9768	0.288	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	112.5320	0.000	1	113.1193	0.260	3	112.9768	0.288	5	112.9768	0.288	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	113.4130	0.059	2	113.1193	0.260	3	112.9768	0.288	5	112.9768	0.288	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:3:4:4:	4:4:3:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:C-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	115.5020	0.000	1	115.5020	0.000	1	115.5020	0.000	1	115.5020	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	112.7015	1.491	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	112.7015	1.491	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	110.1245	2.606	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5]-4:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	110.1245	2.606	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.0480	0.000	1	114.0480	0.000	1	112.8880	1.089	3	113.7812	2.188	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|S<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(O[6]S[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.3080	0.400	2	112.3080	0.160	2	112.8880	1.089	3	113.7812	2.188	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	115.1210	0.769	2	115.1210	0.592	2	115.1210	0.592	2	113.7812	2.188	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:Br-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br)	C[6,6](C[6]C[6]BrC)(C[6]C[6]HH)(O[6]C[6])2	C(C[6]C[6,6]C[6]Br)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br){3|C<4>,4|H<1>}	C[6,6](C[6]C[6]BrC)(C[6]C[6]HH)(O[6]C[6])2{2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]Br)(H)3	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	112.7357	0.419	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.1800	0.000	2	112.1800	0.000	2	112.1800	0.000	2	112.7357	0.419	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	112.7357	0.419	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6])	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.7710	0.660	3	114.7710	0.435	3	114.7540	0.291	4	114.7540	0.291	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])2{4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.7030	0.000	1	114.7030	0.000	1	114.7540	0.291	4	114.7540	0.291	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:2:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N[6]-2:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O){3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[5,6]C[6,6]H)(H)3	112.5627	0.387	4	112.5627	0.149	4	112.5627	0.149	4	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)	C(C[6]C[6,6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]CH)(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6,6]2H)(H)3	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5190	0.000	1	113.5190	0.000	1	113.2105	0.190	2	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9020	0.000	1	112.9020	0.000	1	113.2105	0.190	2	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5830	0.000	2	113.5830	0.000	2	113.4827	0.686	7	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.4705	0.503	2	114.4705	0.253	2	113.4827	0.686	7	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.3050	0.000	1	112.3050	0.000	1	113.4827	0.686	7	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9170	0.000	1	112.9835	0.009	2	113.4827	0.686	7	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.0500	0.000	1	112.9835	0.009	2	113.4827	0.686	7	112.9374	1.212	14	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6,6]C[6]H)(CCC)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]C)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCC)(H)2	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	112.5673	0.552	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.0440	0.000	1	112.0440	0.000	1	112.8077	0.481	3	112.5673	0.552	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.9800	0.000	1	112.9800	0.000	1	112.8077	0.481	3	112.5673	0.552	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]O)(H){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.3990	0.000	1	113.3990	0.000	1	112.8077	0.481	3	112.5673	0.552	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:B[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(B[6]O[6]O)(H){1|C<3>,1|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.1140	0.000	1	113.1140	0.000	1	113.1140	0.000	1	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.4060	0.000	1	114.0655	0.241	4	113.7108	1.043	8	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.5890	0.000	1	114.0655	0.241	4	113.7108	1.043	8	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.1335	0.077	2	114.0655	0.241	4	113.7108	1.043	8	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	113.8080	0.000	1	114.4445	0.810	2	113.7108	1.043	8	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	115.0810	0.000	1	114.4445	0.810	2	113.7108	1.043	8	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.3720	0.000	1	112.2675	0.022	2	113.7108	1.043	8	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.1630	0.000	1	112.2675	0.022	2	113.7108	1.043	8	113.4654	1.167	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.7840	0.297	2	111.7840	0.088	2	112.1710	0.493	3	112.1710	0.493	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9450	0.000	1	112.9450	0.000	1	112.1710	0.493	3	112.1710	0.493	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	117.6780	0.000	1	116.8247	2.276	4	116.8247	2.276	4	116.8247	2.276	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S[6]-3:S[6]-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6])	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]O)(S[6]C[6]){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	116.5403	1.711	3	116.8247	2.276	4	116.8247	2.276	4	116.8247	2.276	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CCO){2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.9250	0.000	1	115.9250	0.000	1	114.6066	3.132	5	114.6066	3.132	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.8980	0.000	1	115.8980	0.000	1	114.6066	3.132	5	114.6066	3.132	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(COO){2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.8740	0.000	1	115.8740	0.000	1	114.6066	3.132	5	114.6066	3.132	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.6680	0.000	2	112.6680	0.000	2	114.6066	3.132	5	114.6066	3.132	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:3:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CH)(C[6]O[6]O)(CCHH){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	114.0297	2.494	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.6000	0.000	1	112.6000	0.000	1	113.1820	0.677	2	114.0297	2.494	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7640	0.000	1	113.7640	0.000	1	113.1820	0.677	2	114.0297	2.494	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	114.0700	0.000	1	114.0700	0.000	1	114.0700	0.000	1	114.0700	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,5|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.2750	0.000	1	112.6668	0.150	4	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.4320	0.000	1	112.6668	0.150	4	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9800	0.214	2	112.6668	0.150	4	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.4140	0.000	1	112.0917	0.676	3	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.1570	0.000	1	112.0917	0.676	3	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.7040	0.000	1	112.0917	0.676	3	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8110	0.000	1	113.8110	0.000	1	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,3|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.8790	0.000	1	114.8790	0.000	1	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,4|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.6661	0.490	8	113.6661	0.240	8	113.2330	0.826	17	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.4370	0.153	4	112.4370	0.023	4	112.4158	0.971	12	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.5995	0.429	2	112.5588	0.069	4	112.4158	0.971	12	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.5180	0.123	2	112.5588	0.069	4	112.4158	0.971	12	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.8315	0.202	2	110.8315	0.041	2	112.4158	0.971	12	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.6990	0.000	1	114.6990	0.000	1	112.4158	0.971	12	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]N[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.6440	0.000	1	112.6440	0.000	1	112.4158	0.971	12	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.1430	0.000	1	114.1430	0.000	1	113.2390	1.634	2	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.3350	0.000	1	112.3350	0.000	1	113.2390	1.634	2	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.8040	0.000	1	110.1437	0.212	3	110.1437	0.212	3	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.6680	0.000	1	110.1437	0.212	3	110.1437	0.212	3	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]CH)(H){6|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.9590	0.000	1	110.1437	0.212	3	110.1437	0.212	3	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.7490	0.133	2	110.7490	0.018	2	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.4050	0.796	3	113.0567	0.908	4	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.0120	0.000	1	113.0567	0.908	4	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.4015	0.474	2	111.4015	0.225	2	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.2250	0.000	1	114.2250	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.8910	1.286	3	111.8910	1.654	3	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.7120	0.229	2	114.7120	0.052	2	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.7910	0.000	1	111.7910	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	119.2810	0.000	1	119.2810	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.2670	0.000	1	115.2670	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.5100	0.000	1	112.3910	0.573	4	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.1190	0.000	1	112.3910	0.573	4	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9675	0.452	2	112.3910	0.573	4	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(C[6]O[6]CH)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	116.1430	0.293	2	116.1430	0.086	2	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6]O[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.0240	0.000	1	113.0240	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.4320	0.000	1	113.4320	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.2880	0.000	2	112.0035	0.473	6	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.4600	0.000	2	112.0035	0.473	6	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.8910	0.000	1	112.0035	0.473	6	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.6340	0.000	1	112.0035	0.473	6	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.4460	0.000	1	114.4460	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	116.5835	0.711	2	116.6947	0.290	3	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	116.9170	0.000	1	116.6947	0.290	3	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)2(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.2140	0.000	1	115.2140	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.4740	0.000	1	115.4740	0.000	1	113.4523	4.370	37	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6]O[6]H)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.6535	0.835	2	109.6535	0.697	2	109.6535	0.697	2	112.9700	3.356	76	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C(C[6]C[5,6]C[6,6]H)(OH)(H)2	116.5310	0.000	1	116.5310	0.000	1	116.5310	0.000	1	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	111.7750	0.000	1	111.9985	0.100	2	112.0824	1.752	10	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	112.2220	0.000	1	111.9985	0.100	2	112.0824	1.752	10	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	111.1760	0.000	1	112.2905	2.484	2	112.0824	1.752	10	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	113.4050	0.000	1	112.2905	2.484	2	112.0824	1.752	10	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	111.6612	1.478	5	111.6612	2.186	5	112.0824	1.752	10	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	113.9400	0.000	1	113.9400	0.000	1	112.0824	1.752	10	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	111.3400	3.056	2	111.3400	9.340	2	111.3400	9.340	2	112.3104	3.777	13	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	114.0760	0.894	2	114.0760	0.799	2	114.0760	0.799	2	113.5547	3.979	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	117.4980	0.000	1	117.4980	0.000	1	114.2240	5.764	4	113.5547	3.979	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	113.8280	0.314	2	113.8280	0.099	2	114.2240	5.764	4	113.5547	3.979	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	111.7420	0.000	1	111.7420	0.000	1	114.2240	5.764	4	113.5547	3.979	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	114.4070	0.000	1	114.4070	0.000	1	114.4070	0.000	1	113.5547	3.979	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H)	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(NOO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H){2|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6]C[6,6a]HH)(C[6,6]O[6]2H)(C[6]C[6]CH)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(NOO)(H)2	111.2685	0.479	2	111.2685	0.229	2	111.2685	0.229	2	113.5547	3.979	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[5,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(CCHH)(H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|S<2>,4|H<1>}	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	113.2890	0.000	1	113.2890	0.000	1	113.2890	0.000	1	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,6|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H){2|C<3>,3|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	114.8300	0.000	1	114.8300	0.000	1	111.8265	7.217	11	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	109.3150	0.494	5	109.3150	0.244	5	111.8265	7.217	11	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.9895	0.077	2	113.9895	0.006	2	111.8265	7.217	11	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	110.7530	0.000	1	110.7530	0.000	1	111.8265	7.217	11	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	115.3390	0.000	1	115.3390	0.000	1	111.8265	7.217	11	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	114.6150	0.000	1	114.6150	0.000	1	111.8265	7.217	11	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	111.8290	0.000	1	111.8290	0.000	1	111.8290	0.000	1	112.1505	5.466	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,5,6,6]CH)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	119.6860	0.000	1	119.6860	0.000	1	119.6860	0.000	1	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	122.6347	2.812	3	122.6347	7.909	3	122.6347	7.909	3	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.3330	0.000	1	114.3330	0.000	1	120.4774	17.616	5	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	123.0200	0.000	1	123.0200	0.000	1	120.4774	17.616	5	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	119.7775	0.500	2	121.6780	10.961	3	120.4774	17.616	5	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HO)(H){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	125.4790	0.000	1	121.6780	10.961	3	120.4774	17.616	5	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	113.5190	0.000	1	113.4855	0.002	2	113.4855	0.002	2	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	113.4520	0.000	1	113.4855	0.002	2	113.4855	0.002	2	119.7225	19.238	11	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]2H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]2H)(H)3	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(NN){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	114.2853	0.223	3	114.2853	0.050	3	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	116.9695	0.746	2	116.9695	0.557	2	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	117.1200	0.000	1	117.1200	0.000	1	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5230	0.000	1	113.5230	0.000	1	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.8590	0.000	1	113.8590	0.000	1	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9570	0.000	1	112.9570	0.000	1	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.3990	0.525	2	113.6217	0.286	3	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.0670	0.000	1	113.6217	0.286	3	114.5932	2.399	12	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6,6]){6|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.8045	0.064	2	115.8045	0.004	2	115.8045	0.004	2	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.2480	0.277	2	115.2480	0.077	2	114.6833	0.921	4	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){4|C<4>,5|H<1>}	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.2790	0.000	1	113.2790	0.000	1	114.6833	0.921	4	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H)	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6])	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H){4|H<1>,5|C<4>}	C[6,6](C[6]C[6]CH)2(C[6]C[6]HH)(O[6]C[6]){1|N<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.9580	0.000	1	114.9580	0.000	1	114.6833	0.921	4	114.4628	2.478	21	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]H)(CCO)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCO)(H)2	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	121.0050	0.995	3	121.0050	0.989	3	118.8572	9.167	5	118.6293	7.645	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	115.8510	0.000	1	115.8510	0.000	1	118.8572	9.167	5	118.6293	7.645	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	115.4200	0.000	1	115.4200	0.000	1	118.8572	9.167	5	118.6293	7.645	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O[6]-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6])	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H){4|C<4>,5|H<1>}	C[6,6](C[6]C[5]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(O[6]C[6]){2|O<2>,3|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	118.6293	7.645	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CH)(C[6]N[6]HH)(COO){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	114.4942	1.367	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.1410	0.000	1	114.1410	0.000	1	114.1410	0.000	1	114.4942	1.367	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H)	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.6970	1.973	2	114.6970	3.892	2	114.6970	3.892	2	114.4942	1.367	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]O[6]HH)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	114.4660	0.000	1	114.4660	0.000	1	114.4660	0.000	1	114.4653	0.000	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H){3|C<4>,7|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	114.4650	0.028	2	114.4650	0.001	2	114.4650	0.001	2	114.4653	0.000	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CCO){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	114.5630	4.205	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(N[6]C[6]C){1|N<2>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	114.5630	4.205	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:3:	4:4:3:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C-4:C-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O)	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]N[6]O){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	111.4315	0.443	2	111.4315	0.197	2	111.4315	0.197	2	111.4315	0.197	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.1230	0.000	1	115.1230	0.000	1	115.1230	0.000	1	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	114.3470	0.000	1	114.3470	0.000	1	113.9680	0.287	2	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.5890	0.000	1	113.5890	0.000	1	113.9680	0.287	2	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6]2C[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.3850	0.000	1	114.5775	0.074	2	114.4833	0.064	3	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.7700	0.000	1	114.5775	0.074	2	114.4833	0.064	3	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.2950	0.000	1	114.2950	0.000	1	114.4833	0.064	3	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7860	0.716	2	113.7860	0.512	2	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.2360	0.000	1	113.2360	0.000	1	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.6330	0.000	1	113.6330	0.000	1	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.0255	0.260	2	114.0255	0.067	2	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7755	0.482	2	113.7755	0.232	2	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7660	0.000	1	113.7660	0.000	1	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.1110	0.000	1	113.7715	0.231	2	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.4320	0.000	1	113.7715	0.231	2	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	115.0100	0.000	1	115.0100	0.000	1	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	114.5780	0.000	1	114.5780	0.000	1	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.6250	0.000	1	113.6250	0.000	1	113.8975	0.266	14	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(H)2(I)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(H)2(I)	113.9940	0.000	1	113.9940	0.000	1	113.9940	0.000	1	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	114.2315	0.540	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|O<2>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	113.8660	0.000	1	113.8660	0.000	1	113.9792	4.627	6	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	114.8700	0.000	1	114.8700	0.000	1	113.9792	4.627	6	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	115.4530	0.000	1	113.7185	6.017	2	113.9792	4.627	6	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	111.9840	0.000	1	113.7185	6.017	2	113.9792	4.627	6	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	111.0100	0.000	1	111.0100	0.000	1	113.9792	4.627	6	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	116.6920	0.000	1	116.6920	0.000	1	113.9792	4.627	6	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	114.5140	0.000	1	114.5140	0.000	1	114.1870	0.128	3	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HO)(C[6]O[6]HH){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	114.2410	0.000	1	114.2410	0.000	1	114.1870	0.128	3	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	113.8060	0.000	1	113.8060	0.000	1	114.1870	0.128	3	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H){1|O<2>,2|C<4>,8|H<1>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)2(C[6]O[6]HH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.9724	2.666	10	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	114.5710	0.000	1	114.5710	0.000	1	114.5710	0.000	1	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)	C(C[6]C[5,6]C[6,6]H)(COO)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6,6]C[5,6,6]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[5,6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6,6]H)(COO)(H)2	114.1893	0.906	3	114.1893	0.820	3	114.1893	0.820	3	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	114.5330	0.559	2	114.5330	0.312	2	114.5330	0.312	2	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	113.0900	0.000	1	113.0900	0.000	1	113.1723	0.236	7	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	112.6550	0.091	2	112.6550	0.008	2	113.1723	0.236	7	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5a]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5a]O)(H)2	113.1760	0.000	1	113.1760	0.000	1	113.1723	0.236	7	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CNO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CNO)(H)2	113.5433	0.475	3	113.5433	0.226	3	113.1723	0.236	7	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[5]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	115.1485	0.069	2	115.1485	0.005	2	114.7533	0.471	3	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	113.9630	0.000	1	113.9630	0.000	1	114.7533	0.471	3	113.7982	1.960	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	114.9040	0.000	1	114.9040	0.000	1	115.7340	0.396	4	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	115.9840	0.000	1	116.1875	0.083	2	115.7340	0.396	4	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HH)(CHHO){1|N<3>,1|O<2>,4|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	116.3910	0.000	1	116.1875	0.083	2	115.7340	0.396	4	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]CH)(C[6]C[6]HO)(CHHO){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	115.6570	0.000	1	115.6570	0.000	1	115.7340	0.396	4	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){6|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.0410	0.000	1	113.0410	0.000	1	115.2277	4.820	3	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	115.2100	0.000	1	115.2100	0.000	1	115.2277	4.820	3	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6,6]C[5,6,6]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	117.4320	0.000	1	117.4320	0.000	1	115.2277	4.820	3	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H)	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	113.4300	0.000	1	113.4300	0.000	1	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H){2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	113.2740	0.000	1	113.2740	0.000	1	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	111.8530	0.798	2	111.8530	0.636	2	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	112.6590	0.000	1	112.6590	0.000	1	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	114.4040	0.229	2	114.4040	0.052	2	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	115.1130	0.000	1	114.3675	1.554	6	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	114.2184	1.333	5	114.3675	1.554	6	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	117.3185	1.382	2	117.3185	1.911	2	114.1813	3.208	15	114.6879	2.929	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(COO)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(COO)(H)2	114.3750	0.000	1	112.7475	5.298	2	112.7475	5.298	2	112.7475	5.298	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	3:3:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(COO)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(COO)(H)2	111.1200	0.000	1	112.7475	5.298	2	112.7475	5.298	2	112.7475	5.298	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6]CO)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6]C[6,6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]2O)(H)3	111.2127	1.270	3	111.2127	1.614	3	111.2127	1.614	3	110.6560	2.315	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:Cl-1:Cl-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(Cl)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]O)(Cl)2(H)	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	110.6560	2.315	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:3:4:1:	4:2:1:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6]C[5,6]C[6,6]O)(OH)(H)2	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:3:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:S-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]CO)(SCOO){2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]O)(H)3	113.0330	0.000	1	113.0330	0.000	1	113.0330	0.000	1	113.0330	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	111.6210	0.000	1	111.6210	0.000	1	111.6582	4.222	5	111.0241	4.047	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|N<2>,1|O<1>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	110.3620	0.363	2	110.4893	0.115	3	111.6582	4.222	5	111.0241	4.047	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.7440	0.000	1	110.4893	0.115	3	111.6582	4.222	5	111.0241	4.047	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.2020	0.000	1	115.2020	0.000	1	111.6582	4.222	5	111.0241	4.047	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	109.0160	0.000	1	109.0160	0.000	1	109.4390	0.358	2	111.0241	4.047	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]CO)(O[6]C[6])(H){1|O<1>,5|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	109.8620	0.000	1	109.8620	0.000	1	109.4390	0.358	2	111.0241	4.047	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:2:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]CO)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]C)(H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H)	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[6]C[5,6]CO)(C[6]O[6]O)(H){3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]H)(H){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(CH3)2(H)	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]O)(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,6|C<4>}	C(C[6]C[5,6]C[6,6]O)(H)3	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]2O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6,6]CO)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]2O)(H)3	110.5273	0.784	3	110.5273	0.614	3	110.5273	0.614	3	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	113.9570	0.000	1	114.3985	0.390	2	114.3263	0.211	3	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CN)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	114.8400	0.000	1	114.3985	0.390	2	114.3263	0.211	3	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	114.1820	0.000	1	114.1820	0.000	1	114.3263	0.211	3	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	114.0690	0.000	1	114.0690	0.000	1	114.0690	0.000	1	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]CO)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.8985	0.019	2	111.8985	0.000	2	111.8985	0.000	2	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H){6|H<1>,7|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	113.7930	0.509	2	113.7930	0.259	2	113.7930	0.259	2	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	109.6680	0.000	1	109.6680	0.000	1	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.9270	0.000	1	111.9270	0.000	1	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.8010	0.000	1	114.6864	4.813	5	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.6577	0.358	4	114.6864	4.813	5	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HO)(C[6]C[6]CO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	117.2830	0.000	1	117.2830	0.000	1	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	112.3070	0.000	1	114.9050	0.984	10	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	114.6295	0.033	2	114.9050	0.984	10	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.4050	0.000	1	114.9050	0.984	10	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.3145	0.169	2	114.9050	0.984	10	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.3625	0.408	4	114.9050	0.984	10	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	114.7120	0.000	1	114.7120	0.000	1	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.0550	0.000	1	111.0550	0.000	1	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.9810	0.000	1	111.9810	0.000	1	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	113.9290	0.000	1	113.9290	0.000	1	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	114.7580	0.000	1	112.7910	7.738	2	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.8240	0.000	1	112.7910	7.738	2	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.4195	0.525	2	112.7860	5.740	3	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.5190	0.000	1	112.7860	5.740	3	113.9621	4.318	27	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	121.3980	0.000	1	121.3980	0.000	1	119.0335	11.182	2	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]CO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	116.6690	0.000	1	116.6690	0.000	1	119.0335	11.182	2	113.6464	6.493	42	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(OH)(H)2	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H)	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]HH)(C[6]C[6]CN)(H){1|O<2>,2|C<4>,2|N<3>,5|H<1>}	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	114.6920	0.000	1	114.6920	0.000	1	114.6920	0.000	1	114.6920	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	112.0547	0.661	3	112.0547	0.437	3	112.1945	0.370	4	112.1945	0.370	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	112.6140	0.000	1	112.6140	0.000	1	112.1945	0.370	4	112.1945	0.370	4	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[5,6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[5,6]C[6,6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6,6]O)(H)3	113.1435	0.433	2	113.1435	0.188	2	113.1435	0.188	2	113.1256	2.803	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	115.4530	0.000	1	115.4530	0.000	1	113.1184	4.157	5	113.1256	2.803	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	109.8810	0.000	1	109.8810	0.000	1	113.1184	4.157	5	113.1256	2.803	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	113.4193	0.461	3	113.4193	0.212	3	113.1184	4.157	5	113.1256	2.803	7	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[3,6]CO)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	112.5756	3.466	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	111.6790	0.000	1	111.6790	0.000	1	112.8799	3.180	7	112.5756	3.466	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	110.7045	0.425	2	113.0800	3.479	6	112.8799	3.180	7	112.5756	3.466	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	114.0560	0.321	2	113.0800	3.479	6	112.8799	3.180	7	112.5756	3.466	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:2:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CO)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	114.4795	0.054	2	113.0800	3.479	6	112.8799	3.180	7	112.5756	3.466	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.1850	0.000	1	112.1850	0.000	1	111.1495	2.145	2	111.1495	2.145	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.1140	0.000	1	110.1140	0.000	1	111.1495	2.145	2	111.1495	2.145	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.4427	0.722	3	113.4427	0.522	3	113.4427	0.522	3	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H){2|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	112.5410	0.000	1	112.5410	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){3|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	111.9780	0.000	1	111.9780	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.0670	0.000	1	113.0670	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.4700	0.000	1	113.4700	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.2450	0.000	1	115.2450	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.2630	0.000	1	110.2630	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.3840	0.000	1	113.3840	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3648	2.282	6	111.3648	5.208	6	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.6030	0.000	1	109.6030	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4655	0.120	2	112.5434	6.733	16	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.9831	2.470	14	112.5434	6.733	16	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.4175	0.161	2	111.0288	5.828	39	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.6542	2.325	6	111.0288	5.828	39	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	116.3495	0.037	2	111.0288	5.828	39	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2438	2.701	6	111.0288	5.828	39	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.9195	1.333	2	111.0288	5.828	39	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.6839	0.471	21	111.0288	5.828	39	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.6809	1.718	15	113.7301	2.792	16	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.4680	0.000	1	113.7301	2.792	16	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.8600	0.000	1	111.3320	4.164	6	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.8264	1.813	5	111.3320	4.164	6	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.6280	0.000	2	113.6280	0.000	2	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.2212	1.382	5	115.2212	1.910	5	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7070	0.000	1	113.5563	10.040	7	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.3645	2.561	6	113.5563	10.040	7	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5410	0.000	1	111.5410	0.000	1	112.2267	6.355	106	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	112.4770	0.000	1	112.4770	0.000	1	112.4770	0.000	1	112.2422	6.159	111	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9910	0.672	2	110.9910	0.451	2	110.6447	0.940	6	110.6447	0.940	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4340	0.000	1	111.4340	0.000	1	110.6447	0.940	6	110.6447	0.940	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.7870	0.000	1	109.7870	0.000	1	110.6447	0.940	6	110.6447	0.940	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4400	0.000	1	111.4400	0.000	1	110.6447	0.940	6	110.6447	0.940	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.2250	0.000	1	109.2250	0.000	1	110.6447	0.940	6	110.6447	0.940	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:3:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6,6]-4:C-4:C-3:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO)	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]CC)(C[6]C[6]HH)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(C[6]C[6]CC)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.1070	1.797	2	113.1070	3.231	2	113.1070	3.231	2	113.1070	3.231	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6,6]O)(C[6]C[6]CC)(H){1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	107.6545	0.388	2	107.6545	0.151	2	107.6545	0.151	2	107.6545	0.151	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:3:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.2350	0.163	3	109.2350	0.026	3	109.2350	0.026	3	109.8598	0.861	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:3:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]O)(C[6]C[6]CC)(CC[6a]O){1|C<3>,1|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.1722	1.008	6	110.1722	1.016	6	110.1722	1.016	6	109.8598	0.861	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:3:4:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(CCH)(H)2	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:3:4:3:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[5,6]C[5,6]O[5])(C[6,6]C[6,6]O)(C[6]C[6]CC)(CCO){1|C<3>,1|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.4020	0.113	2	109.4020	0.013	2	109.4020	0.013	2	109.4020	0.013	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.0825	1.230	2	108.0232	0.675	4	108.0232	0.675	4	108.6523	1.367	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	107.9640	0.706	2	108.0232	0.675	4	108.0232	0.675	4	108.6523	1.367	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(I){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.9105	0.248	2	109.9105	0.062	2	109.9105	0.062	2	108.6523	1.367	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.0595	0.093	2	108.0595	0.009	2	109.5672	1.078	9	109.5672	1.078	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.5200	0.000	1	109.5200	0.000	1	109.5672	1.078	9	109.5672	1.078	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.0520	0.103	2	110.0520	0.011	2	109.5672	1.078	9	109.5672	1.078	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.8800	0.000	2	109.8800	0.000	2	109.5672	1.078	9	109.5672	1.078	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.3010	1.520	2	110.3010	2.311	2	109.5672	1.078	9	109.5672	1.078	9	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO)	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	112.6615	0.218	2	112.6615	0.048	2	112.6615	0.048	2	112.6615	0.048	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.7395	1.703	2	109.7395	2.902	2	110.7132	1.666	5	110.7132	1.666	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[5,6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	111.9950	0.000	1	111.9950	0.000	1	110.7132	1.666	5	110.7132	1.666	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:3:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	111.0460	0.000	2	111.0460	0.000	2	110.7132	1.666	5	110.7132	1.666	5	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.7070	0.000	1	110.7070	0.000	1	109.8159	1.528	15	109.8159	1.528	15	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[3x6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.6988	0.942	6	109.6988	0.888	6	109.8159	1.528	15	109.8159	1.528	15	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.7993	1.779	4	109.7924	2.296	8	109.8159	1.528	15	109.8159	1.528	15	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.7855	1.480	4	109.7924	2.296	8	109.8159	1.528	15	109.8159	1.528	15	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:3:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0230	0.070	6	112.0230	0.005	6	112.0230	0.005	6	110.5052	2.657	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3370	0.000	1	110.3370	0.000	1	109.5945	1.969	10	110.5052	2.657	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.5335	0.504	2	110.5335	0.254	2	109.5945	1.969	10	110.5052	2.657	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.9430	0.000	1	108.9430	0.000	1	109.5945	1.969	10	110.5052	2.657	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.6045	2.057	4	109.6045	4.231	4	109.5945	1.969	10	110.5052	2.657	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.5900	0.124	2	108.5900	0.015	2	109.5945	1.969	10	110.5052	2.657	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	109.5695	0.236	6	109.5695	0.056	6	109.5695	0.056	6	109.5695	0.056	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(NCH)(H)2	112.2735	0.368	2	112.2735	0.136	2	112.2735	0.136	2	112.2735	0.136	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	111.7080	0.000	1	111.7080	0.000	1	109.7253	2.994	3	109.7253	2.994	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	108.7340	0.304	2	108.7340	0.092	2	109.7253	2.994	3	109.7253	2.994	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9135	0.921	2	110.9135	0.849	2	111.0822	1.380	6	111.0822	1.380	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	3:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1665	1.410	4	111.1665	1.989	4	111.0822	1.380	6	111.0822	1.380	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0180	4.189	6	112.0180	17.546	6	112.0180	17.546	6	112.0180	17.546	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2{1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[3,6]C[6]O)(C[6]C[6]CC)(O[6]C[6])(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2290	2.376	2	111.2290	5.645	2	111.2290	5.645	2	111.2290	5.645	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O[6]-2:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(O[6]C[6,6])(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8485	0.319	2	109.8485	0.102	2	109.8485	0.102	2	109.8485	0.102	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4195	4.847	2	111.4195	23.496	2	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.7060	6.224	2	112.0631	16.359	8	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7105	3.941	2	112.0631	16.359	8	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9600	5.013	2	112.0631	16.359	8	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8760	5.827	2	112.0631	16.359	8	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.2295	0.791	2	109.2295	0.626	2	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4235	3.722	2	111.4235	13.850	2	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)(H){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6940	3.794	2	111.6940	14.397	2	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0000	4.261	2	112.1628	14.270	4	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.3255	4.955	2	112.1628	14.270	4	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0280	5.713	2	112.0280	32.643	2	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2355	4.728	2	111.2355	22.358	2	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.3110	5.804	2	112.3110	33.686	2	111.6861	12.568	26	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Co<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Co)(H){1|Co<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.5760	0.339	2	110.5760	0.115	2	110.4133	0.177	8	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Cr<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Cr)(H){1|Cr<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.2353	0.451	4	110.2353	0.203	4	110.4133	0.177	8	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Ni<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]CC)(N[6]C[6]Ni)(H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.6065	0.507	2	110.6065	0.257	2	110.4133	0.177	8	111.3866	9.859	34	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8420	0.000	1	109.8420	0.000	1	109.8420	0.000	1	109.8420	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3413	0.521	4	110.3841	0.230	8	110.3841	0.230	8	110.3841	0.230	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C[6]-3:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]C)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4270	0.510	4	110.3841	0.230	8	110.3841	0.230	8	110.3841	0.230	8	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.2418	0.799	6	110.2418	0.639	6	110.2418	0.639	6	110.2418	0.639	6	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	109.7975	0.145	2	109.7975	0.021	2	109.7975	0.021	2	109.7975	0.021	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6,6]C)(H)3	113.3410	0.000	1	113.3410	0.000	1	112.6053	6.333	3	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2{1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6,6]C)(H)3	112.2375	3.443	2	112.2375	11.854	2	112.6053	6.333	3	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[5]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){3|O<2>,5|C<4>,5|H<1>}	C(C[6]C[6,6]C[5]C[6])(H)3	112.8245	0.573	2	112.2300	1.225	3	112.2300	1.225	3	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[5]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[5]C[6]C)(C[6]C[6]HH)(H){4|H<1>,4|O<2>,5|C<4>}	C(C[6]C[6,6]C[5]C[6])(H)3	111.0410	0.000	1	112.2300	1.225	3	112.2300	1.225	3	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3)	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[5]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6]C[5]C[6]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[5]C[6])(H)3	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.7364	1.714	8	110.7364	2.937	8	110.9726	2.305	26	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0776	1.464	18	111.0776	2.143	18	110.9726	2.305	26	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Br<1>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.2897	1.145	4	110.0943	0.959	8	110.3234	3.338	10	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){2|Cl<1>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8988	0.909	4	110.0943	0.959	8	110.3234	3.338	10	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]CC)(H){3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2400	4.608	2	111.2400	21.229	2	110.3234	3.338	10	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.9300	0.000	1	110.9300	0.000	1	110.6126	13.509	5	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.3430	0.041	2	108.3430	0.002	2	110.6126	13.509	5	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.7235	5.892	2	112.7235	34.719	2	110.6126	13.509	5	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3500	4.006	2	111.3500	16.052	2	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	110.0920	0.000	1	111.4063	1.467	3	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.4770	0.000	1	111.4063	1.467	3	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6500	0.000	1	111.4063	1.467	3	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2650	5.868	2	111.1793	12.107	6	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2530	3.626	2	111.1793	12.107	6	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0200	3.589	2	111.1793	12.107	6	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3555	4.158	2	111.2360	11.178	4	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1165	4.023	2	111.2360	11.178	4	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4060	2.822	4	111.4060	7.966	4	111.2928	7.619	19	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6935	3.743	2	111.6935	14.008	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.8860	3.427	2	110.8860	11.742	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9520	4.223	2	110.9520	17.832	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2745	4.130	2	111.2745	17.059	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0740	4.239	4	111.0740	17.967	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	112.6770	0.000	1	112.6770	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.2670	0.000	1	112.7717	9.215	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.5240	0.083	2	112.7717	9.215	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.9410	0.000	1	113.3798	0.127	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.3860	0.082	2	113.3798	0.127	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.8060	0.000	1	113.3798	0.127	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7000	0.000	1	111.7000	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){3|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	112.0810	0.000	1	112.0810	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.3180	0.000	1	114.3180	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.3643	0.972	6	113.3204	0.620	11	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.4760	0.000	1	113.3204	0.620	11	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.1420	0.000	1	113.3204	0.620	11	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.5733	0.513	3	113.3204	0.620	11	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.3300	0.000	1	112.3300	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.3890	0.791	2	112.3890	0.625	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.0367	0.304	3	113.0367	0.092	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8460	1.065	6	111.8460	1.135	6	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3700	3.780	2	110.3700	14.290	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3080	3.927	2	110.2936	10.125	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.9555	3.247	6	110.2936	10.125	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.1907	0.361	3	113.1907	0.130	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.7960	3.381	2	110.7960	11.434	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0625	3.218	4	111.0625	10.356	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3){1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3250	0.000	1	111.3250	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2452	4.021	6	111.2452	16.170	6	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7430	5.296	2	111.7430	28.050	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7525	3.536	2	111.7525	12.505	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5705	4.183	2	111.5705	17.494	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6844	2.843	14	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7140	4.428	2	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1560	2.813	2	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.4795	3.976	2	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|F<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0350	3.835	2	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2955	4.607	2	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3462	2.958	10	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8202	2.690	24	111.6912	7.605	58	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4850	3.387	2	111.4850	11.472	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.8655	1.350	2	112.8655	1.822	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[6]CC)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.2045	2.477	2	112.2045	6.136	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6815	3.494	2	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8372	3.538	4	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6677	3.107	10	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9640	5.722	2	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4255	3.108	16	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5168	3.397	4	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6310	4.319	2	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8377	3.199	4	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8353	3.451	4	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5850	3.691	12	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4487	3.156	6	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6773	4.667	4	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8230	3.707	2	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7763	2.815	64	111.6904	8.997	136	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.3065	3.577	2	112.1120	8.990	18	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6875	4.042	6	112.1120	8.990	18	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.6005	5.443	2	112.1120	8.990	18	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.2596	1.961	8	112.1120	8.990	18	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5605	3.574	2	111.5605	12.777	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6249	3.014	12	111.7009	8.686	18	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8528	3.082	6	111.7009	8.686	18	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]O[6]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.3038	4.031	4	112.3038	16.248	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.1780	3.985	4	111.7825	8.339	66	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5620	4.197	2	111.7825	8.339	66	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.5445	4.204	2	111.7825	8.339	66	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9585	2.790	12	111.7825	8.339	66	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3590	3.485	2	111.7825	8.339	66	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9997	3.946	6	111.7825	8.339	66	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6447	2.750	38	111.7825	8.339	66	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.2755	2.693	2	112.4345	16.943	6	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.5140	5.079	4	112.4345	16.943	6	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3830	2.410	2	110.7875	2.216	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1920	0.430	2	110.7875	2.216	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4471	2.405	8	111.4722	4.585	26	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4743	2.005	6	111.4722	4.585	26	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5233	2.075	6	111.4722	4.585	26	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|I<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,8|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4522	2.549	6	111.4722	4.585	26	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4370	4.100	2	111.4370	16.808	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|S<4>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7979	3.301	8	111.7979	10.895	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.5975	0.298	2	108.5975	0.089	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.8292	0.780	12	113.7768	0.593	13	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.1490	0.000	1	113.7768	0.593	13	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9130	0.000	1	113.1048	5.854	5	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.1527	0.696	4	113.1048	5.854	5	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.3520	0.000	1	110.5470	10.917	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9420	0.000	1	110.5470	10.917	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.3470	0.000	1	110.5470	10.917	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.9580	0.000	1	114.9580	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.0227	0.610	3	112.4611	10.153	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.8040	0.000	1	112.4611	10.153	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.5030	0.000	1	112.4611	10.153	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.8120	0.000	1	112.4611	10.153	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7510	0.338	2	112.4611	10.153	8	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.4030	0.000	1	111.1640	13.645	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4540	0.000	1	111.1640	13.645	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6350	0.000	1	111.1640	13.645	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.5240	0.000	1	113.5240	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|I<1>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.8508	2.799	4	110.8508	7.833	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6993	4.025	4	110.6993	16.202	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4472	2.940	4	111.4472	8.645	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.0930	0.000	1	114.1970	0.387	5	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.6860	0.581	2	114.1970	0.387	5	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.7600	0.209	2	114.1970	0.387	5	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5430	0.000	1	111.5430	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.7920	0.000	1	108.6477	28.396	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	105.2910	0.000	1	108.6477	28.396	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	105.8600	0.000	1	108.6477	28.396	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0430	3.135	2	111.0430	9.830	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2754	3.246	16	111.4613	10.203	24	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8397	3.632	4	111.4613	10.203	24	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8263	3.433	4	111.4613	10.203	24	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0122	3.995	4	112.0122	15.962	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6427	2.937	14	111.6801	7.851	40	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0045	2.982	4	111.6801	7.851	40	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1350	3.650	2	111.6801	7.851	40	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7580	3.562	4	111.6801	7.851	40	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7609	2.745	14	111.6801	7.851	40	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1175	4.026	2	111.6801	7.851	40	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.8820	6.459	2	112.8820	41.715	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5355	4.777	2	111.5355	22.815	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.4408	3.692	4	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6655	3.495	6	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9010	5.927	2	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8798	3.198	29	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7190	4.139	2	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4783	3.955	4	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1713	3.896	6	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.1100	5.148	2	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.1470	3.015	10	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6165	3.391	2	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5305	3.409	4	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6744	2.822	28	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0576	3.131	7	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5937	2.736	120	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4100	2.819	6	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.2415	3.672	2	111.6580	8.361	234	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0704	1.815	18	112.0704	3.293	18	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.4367	3.226	4	111.1785	8.195	12	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0494	2.891	8	111.1785	8.195	12	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7145	4.618	2	111.6027	9.264	12	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.5970	3.735	2	111.6027	9.264	12	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9415	4.703	2	111.6027	9.264	12	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6085	4.547	2	111.6027	9.264	12	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3773	2.791	4	111.6027	9.264	12	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3510	4.903	2	111.3510	24.040	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.5310	0.000	1	113.4710	16.171	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.8265	0.788	2	113.4710	16.171	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.7000	0.000	1	113.4710	16.171	4	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3500	0.000	1	110.3500	0.000	1	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	116.0840	0.690	4	111.9255	12.857	15	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.0120	0.058	2	111.9255	12.857	15	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.7140	0.000	1	111.9255	12.857	15	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7260	0.311	8	111.9255	12.857	15	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6405	0.499	2	110.5823	11.436	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.4660	0.000	1	110.5823	11.436	3	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]N[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3080	5.125	2	111.3080	26.267	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.7105	3.449	2	110.7105	11.893	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6595	1.013	2	108.6595	1.027	2	111.7415	8.170	870	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.1355	2.747	2	112.1355	7.547	2	112.1355	7.547	2	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]2)(H)3	113.6160	0.380	4	113.7232	0.116	6	113.7232	0.116	6	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]2)(H)3	113.9375	0.084	2	113.7232	0.116	6	113.7232	0.116	6	111.7069	7.917	945	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(CN)(H)2	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(NC)(H)2	107.9190	0.525	5	107.8075	0.295	6	107.8075	0.295	6	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]C)(NC)(H)2	107.2500	0.000	1	107.8075	0.295	6	107.8075	0.295	6	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	108.6095	0.578	2	108.6095	0.334	2	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OSi)(H)2	107.4550	0.000	1	107.4550	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	114.0670	0.000	1	110.6588	4.191	5	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	109.8067	0.865	4	110.6588	4.191	5	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	109.9490	0.000	1	109.9490	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	112.6990	0.000	1	112.7675	0.009	2	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	112.8360	0.000	1	112.7675	0.009	2	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6]CC)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	109.3810	0.000	1	109.3810	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	106.0285	0.138	2	108.4837	18.093	3	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	113.3940	0.000	1	108.4837	18.093	3	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	107.5380	0.000	1	109.9388	7.817	5	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	109.1840	0.000	1	109.9388	7.817	5	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	107.1950	0.000	1	109.9388	7.817	5	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	112.8885	0.071	2	109.9388	7.817	5	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	109.6610	0.000	1	112.0630	4.814	3	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	113.9620	0.000	1	112.0630	4.814	3	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	112.5660	0.000	1	112.0630	4.814	3	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	113.0670	0.000	1	113.0670	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	106.7340	0.000	1	106.7340	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OSi)(H)2	109.5270	0.331	2	109.5270	0.110	2	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	112.2780	0.000	1	112.2780	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	110.3035	0.695	2	110.3035	0.483	2	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	109.9275	1.329	4	111.5088	2.056	13	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	111.0490	0.000	1	111.5088	2.056	13	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	112.3570	0.697	8	111.5088	2.056	13	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	108.5730	0.000	1	108.5730	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	112.6225	0.470	2	112.6225	0.221	2	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	111.0685	1.855	2	111.0685	3.440	2	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	114.7040	0.000	1	114.7040	0.000	1	110.7384	5.000	49	110.3889	5.275	56	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[5,6]CC)(C[6]C[6]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(COO)(H)2	107.2640	0.000	1	107.2640	0.000	1	107.2640	0.000	1	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	109.7297	0.133	3	109.7297	0.018	3	109.7297	0.018	3	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	109.4025	0.479	4	109.4025	0.230	4	109.4025	0.230	4	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NHP)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(NHP)(H)2	112.5710	0.221	2	112.5710	0.049	2	109.2967	14.758	6	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(NCH)(H)2	110.4810	1.488	2	110.4810	2.213	2	109.2967	14.758	6	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	104.8380	2.742	2	104.8380	7.519	2	109.2967	14.758	6	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	106.2260	0.000	1	106.2260	0.000	1	106.2260	0.000	1	108.9964	5.951	16	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5a]-3:O-2:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	115.9045	0.605	2	115.9045	0.366	2	115.9045	0.366	2	115.9045	0.366	2	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>,4|O<2>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	110.3790	0.000	1	110.3790	0.000	1	110.1763	0.043	3	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	110.1850	0.000	1	110.0750	0.024	2	110.1763	0.043	3	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	109.9650	0.000	1	110.0750	0.024	2	110.1763	0.043	3	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.5680	0.426	2	109.5680	0.181	2	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	113.9360	0.000	1	113.9360	0.000	1	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	105.3500	0.000	1	106.8427	7.746	4	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.1765	0.197	2	106.8427	7.746	4	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	103.6680	0.000	1	106.8427	7.746	4	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]CC)(H){3|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	106.0460	0.000	1	106.0460	0.000	1	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.8240	0.000	1	109.8240	0.000	1	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.2787	0.517	6	109.2833	0.287	8	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.8770	0.000	1	109.2833	0.287	8	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	108.7170	0.000	1	109.2833	0.287	8	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	110.5520	0.000	1	110.5520	0.000	1	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	110.1815	0.233	2	110.1815	0.054	2	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3)	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3){1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]B[5]C[6]H)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	106.3070	0.000	1	106.3070	0.000	1	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	110.0480	0.000	1	110.2600	0.090	2	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	110.4720	0.000	1	110.2600	0.090	2	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	111.6445	0.261	2	110.6000	3.307	3	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	108.5110	0.000	1	110.6000	3.307	3	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	108.9920	0.000	1	108.9920	0.000	1	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	107.5320	0.000	1	111.5343	12.109	3	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	113.8430	0.000	1	111.5343	12.109	3	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	113.2280	0.000	1	111.5343	12.109	3	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[5a,6]CH)(C[6]C[6]CC)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	105.5660	0.000	1	105.5660	0.000	1	109.3317	5.368	31	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	105.7560	0.000	1	105.7560	0.000	1	105.7273	0.020	3	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(NH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(NH3)(H)2	105.7130	0.197	2	105.7130	0.039	2	105.7273	0.020	3	109.1149	5.419	38	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	106.4830	0.000	1	106.4830	0.000	1	109.9147	8.849	3	109.9147	8.849	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	111.5000	0.000	1	111.5000	0.000	1	109.9147	8.849	3	109.9147	8.849	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	111.7610	0.000	1	111.7610	0.000	1	109.9147	8.849	3	109.9147	8.849	3	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[5,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH)	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[5,6]C[6,6]C)(H)3	111.2080	1.257	2	111.2080	1.581	2	111.2080	1.581	2	113.1056	5.683	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.3852	1.575	4	113.3852	2.480	4	113.3428	5.795	16	113.1056	5.683	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9985	2.696	2	111.9985	7.269	2	113.3428	5.795	16	113.1056	5.683	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.6350	5.572	2	113.5947	7.551	10	113.3428	5.795	16	113.1056	5.683	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.6068	1.611	6	113.5947	7.551	10	113.3428	5.795	16	113.1056	5.683	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.5180	4.890	2	113.5947	7.551	10	113.3428	5.795	16	113.1056	5.683	18	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2{1|O<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(C[6]C[6]O){6|C<4>,7|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.6942	0.890	4	112.6942	0.792	4	112.6942	0.792	4	111.1461	1.753	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.1335	1.715	2	112.1335	2.940	2	112.1335	2.940	2	111.1461	1.753	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){1|Br<1>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6927	1.255	10	110.7628	1.307	14	110.6924	1.162	18	111.1461	1.753	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]C){2|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9380	0.937	4	110.7628	1.307	14	110.6924	1.162	18	111.1461	1.753	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6]CC)(C[6]C[6]HH)2(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4460	0.905	4	110.4460	0.819	4	110.6924	1.162	18	111.1461	1.753	24	112.1146	7.528	2575	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:3:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:N[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2	C(C[6]C[6]N[6]O[6])(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]O[6])(H)3	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:1:1:	3:4:1:1:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	113.9562	13.469	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:1:1:	3:4:1:1:	S[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[5a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(H)2	113.0333	0.664	3	113.0333	0.440	3	113.0333	0.440	3	113.9562	13.469	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:1:1:	3:4:1:1:	S[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	110.5130	0.000	1	110.5130	0.000	1	110.5130	0.000	1	113.9562	13.469	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CClHH)(H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(Cl)(H)2	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	113.2190	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:1:1:	4:2:1:1:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CHHO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.4075	0.360	2	114.4075	0.130	2	114.4075	0.130	2	114.4075	0.130	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:1:1:	4:4:1:1:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(PC[6a]2Pd)(H)2	C[6](O[6]C[5a,6])(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(PC[6a]2Pd)(H)2	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:1:1:	4:4:4:2:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCCO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	115.6162	0.601	6	115.6162	0.361	6	115.6162	0.361	6	115.6162	0.361	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	2:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]O[6]CH)(CH3)(H){2|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.9595	0.664	2	114.9595	0.441	2	114.9595	0.441	2	114.9595	0.441	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:1:1:	3:4:1:1:	O[6]-2:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN[5a]HH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2{1|C<3>,1|N<3>}	C(C[6]C[6]O[6]H)(H)3	113.7020	0.000	1	113.7020	0.000	1	113.9090	0.086	2	113.0925	0.920	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	114.1160	0.000	1	114.1160	0.000	1	113.9090	0.086	2	113.0925	0.920	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:1:1:	4:1:1:1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2{4|C<3>}	C(C[6]C[6]S[6]H)(H)3	112.3330	0.000	1	112.3330	0.000	1	112.2760	0.006	2	113.0925	0.920	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:1:1:	4:1:1:1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2{2|C<3>}	C(C[6]C[6]S[6]H)(H)3	112.2190	0.000	1	112.2190	0.000	1	112.2760	0.006	2	113.0925	0.920	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.7867	0.493	3	114.7867	0.243	3	114.7867	0.243	3	113.1007	3.688	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:S-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H)	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CF3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C(C[6]C[6]O[6]H)(F)3	111.4147	0.671	3	111.4147	0.450	3	111.4147	0.450	3	113.1007	3.688	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:4:1:	4:4:1:1:	S[6]-2:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C(C[6]C[6]S[6]H)(CCHH)(H)2	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	C(C[6]C[6]S[6]H)(CCHH)(H)2	112.4390	0.873	2	112.4390	0.761	2	112.4390	0.761	2	112.4390	0.761	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	3:4:4:1:	4:4:4:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	C(C[6]C[6]O[6]H)(CH3)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H){2|C<3>}	C(C[6]C[6]O[6]H)(CH3)3	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2{2|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	112.3245	0.123	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2{4|C<3>}	C(C[6]C[6]O[6]H)(H)3	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	112.3245	0.123	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	113.6890	0.000	1	113.6890	0.000	1	116.2122	11.138	5	116.0902	9.000	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CNO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CNO)(H)2	116.8430	3.492	4	116.8430	12.198	4	116.2122	11.138	5	116.0902	9.000	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2{4|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	115.4800	0.000	1	115.4800	0.000	1	115.4800	0.000	1	116.0902	9.000	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:4:2:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	115.2280	0.000	1	115.2280	0.000	1	114.5750	1.018	7	114.5750	1.018	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:4:2:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	114.2746	1.062	5	114.2746	1.128	5	114.5750	1.018	7	114.5750	1.018	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:4:2:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	115.4240	0.000	1	115.4240	0.000	1	114.5750	1.018	7	114.5750	1.018	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:4:4:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	C(C[6]C[6]O[6]H)(CH3)3	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H){2|C<4>,5|O<2>}	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<6>}	C(C[6]C[6]O[6]H)(CH3)3	113.0300	1.256	3	113.0300	1.578	3	112.3416	1.880	5	112.3416	1.880	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:1:1:	4:4:4:4:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	C(C[6]C[6]O[6]H)(CH3)3	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H){2|C<4>,4|O<2>}	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<5>}	C(C[6]C[6]O[6]H)(CH3)3	111.3090	0.899	2	111.3090	0.809	2	112.3416	1.880	5	112.3416	1.880	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:2:1:	4:2:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	C(C[6]C[6]O[6]H)(OS)(H)2	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	115.5780	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:2:1:	4:4:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(SC)(H){2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	116.6380	0.000	1	116.6380	0.000	1	116.6380	0.000	1	116.6380	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:3:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C(C[6]C[6]O[6]H)(F)3	116.1115	0.780	2	116.1115	0.608	2	116.1115	0.608	2	116.1115	0.608	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:3:1:	4:2:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	C[6](O[6]C[5a,6])(C[6]C[6]CH)(CHHS)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CH)(COO)(H){1|S<2>,3|C<3>}	C(C[6]C[6]O[6]H)(SC)(H)2	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:3:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	114.5790	0.202	2	114.5790	0.041	2	114.7073	0.130	4	114.7073	0.130	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:3:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	114.8355	0.532	2	114.8355	0.284	2	114.7073	0.130	4	114.7073	0.130	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	C(C[6]C[6]O[6]H)(H)3	117.5200	0.881	2	117.5200	0.776	2	117.5200	0.776	2	117.5200	0.776	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:4:3:	4:1:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]O[6]H)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C(C[6]C[6]O[6]H)(F)3	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:4:3:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	113.2030	0.000	1	113.2030	0.000	1	112.9030	1.407	4	112.9030	1.407	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:4:3:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	112.0645	0.910	2	112.0645	0.828	2	112.9030	1.407	4	112.9030	1.407	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:1:	4:4:4:3:	4:3:1:1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	114.2800	0.000	1	114.2800	0.000	1	112.9030	1.407	4	112.9030	1.407	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:2:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(F)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6]O[6]O)(F)3	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:2:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6]O[6]O)(H)3	112.7153	0.580	3	112.7153	0.337	3	113.3486	0.507	7	113.3486	0.507	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:2:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.9440	0.264	2	113.9440	0.070	2	113.3486	0.507	7	113.3486	0.507	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:2:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.4450	0.000	1	113.4450	0.000	1	113.3486	0.507	7	113.3486	0.507	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:2:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OSi){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.9610	0.000	1	113.9610	0.000	1	113.3486	0.507	7	113.3486	0.507	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:2:	4:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]O)(H)3	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	115.2280	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:3:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.5710	1.222	2	112.5710	1.493	2	112.2955	0.550	6	112.8707	2.775	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:3:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CNO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.2000	0.865	2	112.2000	0.749	2	112.2955	0.550	6	112.8707	2.775	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:3:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.1155	0.524	2	112.1155	0.275	2	112.2955	0.550	6	112.8707	2.775	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:3:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2	C(C[6]C[6]O[6]N)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2{2|C<3>}	C(C[6]C[6]O[6]N)(H)3	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	112.8707	2.775	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	2:4:3:2:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	2:4:3:2:	4:4:1:1:	O[6]-2:C[6]-4:C-4:C-4:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH){2|C<3>}	C(C[6]C[6]O[6]C)(CH3)(H)2	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2{1|In<5>,1|C<4>}	C(C[6]C[6]O[6]C)(F)3	108.1735	1.619	4	108.0274	2.575	8	108.0274	2.575	8	110.6235	2.967	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2{1|In<5>,1|C<4>}	C(C[6]C[6]O[6]C)(F)3	107.8812	1.825	4	108.0274	2.575	8	108.0274	2.575	8	110.6235	2.967	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.1117	0.347	6	111.1117	0.121	6	111.3652	0.611	28	110.6235	2.967	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	110.4880	0.863	6	110.4880	0.745	6	111.3652	0.611	28	110.6235	2.967	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.3535	0.354	2	111.3535	0.126	2	111.3652	0.611	28	110.6235	2.967	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.8515	0.535	14	111.8515	0.286	14	111.3652	0.611	28	110.6235	2.967	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.2860	1.728	2	112.2860	2.987	2	112.2860	2.987	2	111.3707	1.759	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(SC[6a])(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.7540	0.434	2	111.7540	0.188	2	111.7540	0.188	2	111.3707	1.759	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	3:4:2:1:	4:1:1:1:	S[6]-2:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H)	C(C[6]C[6]S[6]C)(H)3	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2{1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H){2|C<3>}	C(C[6]C[6]S[6]C)(H)3	110.0720	0.526	2	110.0720	0.277	2	110.0720	0.277	2	111.3707	1.759	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:3:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|N<3>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|Nb<6>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.6345	0.920	2	111.6345	0.846	2	111.6345	0.846	2	111.6345	0.846	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2{4|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.1645	3.764	2	112.1645	14.167	2	112.2092	3.690	84	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2{4|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.2669	2.417	40	112.2669	5.843	40	112.2092	3.690	84	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.6132	1.038	4	112.1995	1.135	38	112.2092	3.690	84	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.1508	1.073	34	112.1995	1.135	38	112.2092	3.690	84	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	108.8480	0.000	1	108.8480	0.000	1	112.2092	3.690	84	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.7890	0.000	1	112.7890	0.000	1	112.2092	3.690	84	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2{1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.6735	3.160	2	112.6735	9.986	2	112.2092	3.690	84	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)2(I)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)2(I)	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.2220	0.590	2	113.2220	0.348	2	113.2220	0.348	2	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2{1|N<2>,1|O<2>,1|P<3>,2|C<4>}	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2{1|Ge<4>}	C(C[6]C[6]O[6]C)(F)3	109.0030	1.199	2	109.0030	1.438	2	109.0030	1.438	2	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	S[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C(C[6]C[6]S[6]C)(H)3	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{4|C<3>}	C(C[6]C[6]S[6]C)(H)3	111.8998	2.780	12	111.8998	7.728	12	111.8998	7.728	12	112.1025	4.228	101	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:2:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(OC[6a])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(OC[6a])(H)2	108.2900	0.000	1	108.2900	0.000	1	112.4370	12.089	6	112.4370	12.089	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:2:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(OH)(H)2	113.2664	3.155	5	113.2664	9.952	5	112.4370	12.089	6	112.4370	12.089	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(CCH)(H)2	111.3790	1.025	2	111.3790	1.051	2	111.3790	1.051	2	111.5437	2.936	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	110.9475	2.980	2	110.9475	8.883	2	110.9475	8.883	2	111.5437	2.936	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	112.3045	1.681	2	112.3045	2.825	2	112.3045	2.825	2	111.5437	2.936	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:1:1:	4:4:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	109.8470	2.007	3	109.8470	4.029	3	109.8470	4.029	3	109.8470	4.029	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.6235	0.320	2	111.6235	0.103	2	111.7724	0.980	18	111.7724	0.980	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.8240	0.000	1	112.8240	0.000	1	111.7724	0.980	18	111.7724	0.980	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.0935	1.599	2	111.0935	2.556	2	111.7724	0.980	18	111.7724	0.980	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.8266	0.697	8	111.8266	0.485	8	111.7724	0.980	18	111.7724	0.980	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.4090	1.762	2	111.4090	3.105	2	111.7724	0.980	18	111.7724	0.980	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.2565	2.160	2	112.2565	4.667	2	111.7724	0.980	18	111.7724	0.980	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.7010	0.000	1	111.7010	0.000	1	111.7724	0.980	18	111.7724	0.980	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:2:2:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-2:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(OC)2(H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(OC)2(H)	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:2:1:	4:4:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H){4|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.6830	2.110	3	113.6830	4.454	3	113.1481	1.644	9	113.1481	1.644	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.5465	0.283	4	112.5465	0.080	4	113.1481	1.644	9	113.1481	1.644	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	114.3790	0.000	1	114.3790	0.000	1	113.1481	1.644	9	113.1481	1.644	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.7190	0.000	1	112.7190	0.000	1	113.1481	1.644	9	113.1481	1.644	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:3:2:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:4:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H){4|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	113.0893	1.381	3	113.0893	1.907	3	114.8324	3.374	7	114.8324	3.374	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:4:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	116.1397	0.400	4	116.1397	0.160	4	114.8324	3.374	7	114.8324	3.374	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	2:4:4:4:	4:4:4:1:	4:4:2:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	113.7570	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2{4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	111.4770	0.000	1	111.4070	0.010	2	111.4070	0.010	2	111.4070	0.010	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2{4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	111.3370	0.000	1	111.4070	0.010	2	111.4070	0.010	2	111.4070	0.010	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:2:4:4:	4:4:3:1:	4:1:1:1:	C[5a]-3:S[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3)	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H)	C(C[6]C[5a]C[6]S[6])(F)3	C[6](C[5a]C[5a,6a]C[5a])(S[6]C[6,6a])(C[6]C[6]CH)(CF3){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]S[6]C)(C[6]C[6,6a]HO)(CC[6a]O)(H){4|C<3>}	C(C[6]C[5a]C[6]S[6])(F)3	107.1430	0.311	2	107.1430	0.097	2	107.1430	0.097	2	107.9227	1.872	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:2:4:4:	4:4:3:1:	4:1:1:1:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	107.9227	1.872	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	3:3:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C(C[6]C[6,6a]2C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6])(H)3	105.4360	0.000	1	105.4360	0.000	1	107.0420	5.158	2	107.0420	5.158	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	3:3:4:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C(C[6]C[6,6a]2C[6])(H)3	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|O<2>,4|C<3>,4|N<2>}	C(C[6]C[6,6a]2C[6])(H)3	108.6480	0.000	1	108.6480	0.000	1	107.0420	5.158	2	107.0420	5.158	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	3:3:4:1:	4:3:1:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C(C[6]C[6,6a]2C[6])(N[5]C[5]2)(H)2	102.7710	0.000	1	102.7710	0.000	1	102.7710	0.000	1	102.7710	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	3:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C(C[6]C[6,6a]2C[6])(NCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C(C[6]C[6,6a]2C[6])(NCC)(H)2	102.8150	0.000	1	102.8150	0.000	1	102.8150	0.000	1	102.8150	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2{1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	108.2925	1.962	2	108.2925	3.850	2	108.2925	3.850	2	108.2925	3.850	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:2:3:1:	4:1:1:1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3)	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H)	C(C[6]C[6a]C[6]N[6])(H)3	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]C)(S[6]C[5a,6])(CC[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	109.5290	0.000	1	109.5290	0.000	1	108.9395	0.695	2	107.9970	1.422	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	108.3500	0.000	1	108.3500	0.000	1	108.9395	0.695	2	107.9970	1.422	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2{1|S<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	106.9620	0.000	1	106.9620	0.000	1	106.9620	0.000	1	107.9970	1.422	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2	C(C[6]C[6a]C[6]N[6])(H)3	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2{5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	107.9970	1.422	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:2:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	108.5080	0.000	1	108.5080	0.000	1	108.6935	0.069	2	108.6935	0.069	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:2:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	108.8790	0.000	1	108.8790	0.000	1	108.6935	0.069	2	108.6935	0.069	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:2:1:	4:3:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:S-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H)	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H){1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CCH)(H)2	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:3:4:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H){1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2	C(C[6]C[6,6a]C[5a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5a]C[6])(H)3	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	106.4980	0.000	1	106.4980	0.000	1	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	110.5060	0.358	2	109.8550	0.610	4	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	109.2040	0.083	2	109.8550	0.610	4	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2{1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	107.7470	0.000	1	107.7470	0.000	1	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	108.1385	0.037	2	108.1385	0.001	2	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	107.9204	1.729	20	107.9204	2.991	20	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	106.1378	2.035	6	106.5877	4.867	7	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C(C[6]C[6,6a]C[6a]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(H)3	109.2870	0.000	1	106.5877	4.867	7	107.8418	3.447	35	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	109.6160	0.000	1	109.6160	0.000	1	108.8420	1.198	2	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|I<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	108.0680	0.000	1	108.0680	0.000	1	108.8420	1.198	2	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6a]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6a]C[6])(H)3	110.1580	0.000	1	109.4450	1.017	2	109.4450	1.017	2	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6a]C[6])(H)3	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6a]C[6])(H)3	108.7320	0.000	1	109.4450	1.017	2	109.4450	1.017	2	108.0421	3.405	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(NHS)(H)2	107.6085	0.202	2	107.6085	0.041	2	107.6085	0.041	2	107.4730	0.075	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	C(C[6]C[6a]C[6]N[6])(COO)(H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C(C[6]C[6a]C[6]N[6])(COO)(H)2	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.4730	0.075	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:3:4:4:	4:4:3:3:	4:1:1:1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(COO)2	C(C[6]C[6a]C[6]N[6])(H)3	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3){4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(COO)2{1|C<4>,4|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:2:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS)	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2	C(C[6]C[6a]C[6]O[6])(SC[6a]OO)(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6a]C[6]O[6])(SC[6a]OO)(H)2	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	111.6435	0.105	2	111.6435	0.011	2	111.0088	2.793	4	111.5616	1.931	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2{1|N<3>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	110.3740	2.599	2	110.3740	6.756	2	111.0088	2.793	4	111.5616	1.931	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	113.2370	0.000	1	113.2370	0.000	1	113.2370	0.000	1	111.5616	1.931	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	112.0825	0.558	2	112.0825	0.311	2	111.7403	0.507	3	111.5616	1.931	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6a]C[6]O[6])(H)3	111.0560	0.000	1	111.0560	0.000	1	111.7403	0.507	3	111.5616	1.931	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:3:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H)	C(C[6]C[6,6a]C[6]S)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]S)(H)3	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2{3|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	108.9890	0.519	2	108.9890	0.269	2	108.9890	0.269	2	110.7699	7.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	C(C[6]C[6a]C[6]N[6])(H)2(I)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	C(C[6]C[6a]C[6]N[6])(H)2(I)	107.6550	0.007	2	107.6550	0.000	2	107.6550	0.000	2	110.7699	7.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2{1|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	113.1460	0.000	1	113.1460	0.000	1	112.2005	1.788	2	110.7699	7.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	111.2550	0.000	1	111.2550	0.000	1	112.2005	1.788	2	110.7699	7.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2	C(C[6]C[6a]C[6]O[6])(H)2(I)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)2(I)	114.0950	0.000	1	114.0950	0.000	1	114.2350	0.039	2	110.7699	7.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2	C(C[6]C[6a]C[6]O[6])(H)2(I)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)2(I)	114.3750	0.000	1	114.3750	0.000	1	114.2350	0.039	2	110.7699	7.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:2:1:	4:1:1:1:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	C(C[6]N[5a]C[6]O[6])(H)3	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]N[5a]C[6]O[6])(H)3	112.0300	0.000	1	112.0300	0.000	1	111.9190	0.025	2	111.9190	0.025	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:2:1:	4:1:1:1:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	C(C[6]N[5a]C[6]O[6])(H)3	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]N[5a]C[6]O[6])(H)3	111.8080	0.000	1	111.8080	0.000	1	111.9190	0.025	2	111.9190	0.025	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:2:4:	4:4:4:4:	4:1:1:1:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:2:1:1:	4:1:1:1:	C[5a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2	C(C[6]C[5a]C[6]N[6])(H)3	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C(C[6]C[5a]C[6]N[6])(H)3	109.0205	0.011	2	109.0205	0.000	2	109.0205	0.000	2	109.0205	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:2:2:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:S[6]-2:S-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(SC)(H)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(S[6]C[6])(SC)(H){1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6a]C[6]2)(H)3	108.4240	0.030	2	108.4240	0.001	2	108.4240	0.001	2	109.4425	1.518	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	110.4610	0.636	2	110.4610	0.405	2	110.4610	0.405	2	109.4425	1.518	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(H)2	106.6485	2.215	2	106.6485	4.908	2	106.6485	4.908	2	106.6485	4.908	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:3:2:2:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-2:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(CN)2{1|C<2>,1|H<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:3:3:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CC[6a]O)(H){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5a]C[6]2)(H)3	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[5a]C[6]2)(H)3	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]2)(H)3	106.7680	0.000	1	106.7680	0.000	1	108.3390	4.936	2	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2	C(C[6]C[6,6a]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]2)(H)3	109.9100	0.000	1	109.9100	0.000	1	108.3390	4.936	2	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2{1|Br<1>,1|O<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	105.3840	0.000	1	105.3840	0.000	1	107.6533	3.868	3	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(H)3	108.7130	0.000	1	108.7880	0.011	2	107.6533	3.868	3	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(H)3	108.8630	0.000	1	108.7880	0.011	2	107.6533	3.868	3	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(H)2(I)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(H)2(I)	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2	C(C[6]C[6a]C[6]N[6])(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C(C[6]C[6a]C[6]N[6])(F)3	111.6340	0.482	2	111.6340	0.233	2	111.6340	0.233	2	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	109.4473	4.259	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(CCH)(H)2	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	109.4855	0.200	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(NCS)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(NCS)(H)2	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.4855	0.200	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	108.3320	8.087	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	111.4570	0.000	1	111.4570	0.000	1	108.5258	9.827	5	108.3320	8.087	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	108.9610	0.000	1	108.9610	0.000	1	108.5258	9.827	5	108.3320	8.087	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	111.5930	0.000	1	111.5930	0.000	1	108.5258	9.827	5	108.3320	8.087	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(CCCH)(H)2	105.3090	0.649	2	105.3090	0.421	2	108.5258	9.827	5	108.3320	8.087	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:3:4:	4:4:3:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6a]C[6]2)(H)3	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[5a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	112.3215	0.165	2	112.3215	0.027	2	112.3215	0.027	2	115.4325	24.727	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	118.5435	5.953	2	118.5435	35.440	2	118.5435	35.440	2	115.4325	24.727	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CC[6a]CH)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	115.4430	1.793	2	115.4430	3.216	2	115.4430	3.216	2	115.4430	3.216	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(H)3	111.6340	1.165	3	111.6340	1.358	3	111.6340	1.358	3	111.8770	0.790	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CH3)(H){4|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(H)3	112.2415	0.037	2	112.2415	0.001	2	112.2415	0.001	2	111.8770	0.790	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	4:2:4:4:	N[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-2:C-4:C-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	4:3:1:1:	N[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(PC[6a]2O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHHP)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2H)(PC[6a]2O)(H)2	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:1:1:	4:4:3:1:	C[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C[6](C[6]C[6,6a]C)(C[6]S[6]HH)(CCHN)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(CCHH)(NHS)(H)	111.9760	1.855	2	111.9760	3.443	2	111.9760	3.443	2	111.9760	3.443	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:3:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2H)(COO)(H)2	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:3:3:	4:3:1:1:	N[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(COO)2	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]CH)(COO)2{1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CCO)(H)2	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CH3)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	112.9443	0.250	3	112.9443	0.063	3	112.9443	0.063	3	112.9443	0.063	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:4:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	S[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CCHH)(H){1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	112.7515	0.093	2	112.7515	0.009	2	112.7515	0.009	2	112.7515	0.009	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	2:4:4:1:	4:4:2:1:	C[6]-3:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2H)(CC3)(OH)(H)	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	3:4:2:1:	C[6]-3:C[6]-4:C-4:H-1:	Se[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H)	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]Se[6]HH)(CC[6a]HO)(H){1|C<4>,2|C<3>}	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	111.9555	0.185	2	111.9555	0.034	2	111.9555	0.034	2	111.9555	0.034	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(H)3	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(F)3	109.2790	0.000	1	110.2925	2.054	2	110.2925	2.054	2	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CF3)(H){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(F)3	111.3060	0.000	1	110.2925	2.054	2	110.2925	2.054	2	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.4290	0.000	1	111.4290	0.000	1	112.6073	4.477	3	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.3430	0.000	1	111.3430	0.000	1	112.6073	4.477	3	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|N<3>}	C(C[6]C[6]2H)(H)3	115.0500	0.000	1	115.0500	0.000	1	112.6073	4.477	3	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.7270	0.000	1	112.7270	0.000	1	112.4640	0.138	2	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	112.2010	0.000	1	112.2010	0.000	1	112.4640	0.138	2	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C(C[6]C[6]N[6]H)(H)3	111.9190	0.000	1	111.9190	0.000	1	111.9190	0.000	1	111.7946	2.420	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	C[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	114.0550	0.000	1	114.0550	0.000	1	112.5173	1.793	3	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	111.7485	0.199	2	111.7485	0.039	2	112.5173	1.793	3	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(CN)(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(CN)(H)2	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	112.3030	0.000	1	111.2925	3.553	4	111.2925	3.553	4	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	110.9557	2.156	3	111.2925	3.553	4	111.2925	3.553	4	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C(C[6]N[6,6]C[6]H)(OC)(H)2	112.9370	0.000	1	112.9370	0.000	1	112.0187	4.989	8	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	114.1633	0.819	3	111.8876	5.660	7	112.0187	4.989	8	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	110.1808	1.345	4	111.8876	5.660	7	112.0187	4.989	8	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	111.8690	0.000	1	111.8690	0.000	1	111.6520	0.094	2	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]H)(OH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	111.4350	0.000	1	111.4350	0.000	1	111.6520	0.094	2	111.8509	2.992	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CHN)(H)2	110.4560	2.505	2	110.4560	6.273	2	110.4560	6.273	2	112.0270	5.477	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2	C(C[6]N[5a,6]C[6]H)(COO)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2{5|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	112.0270	5.477	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	N[6,6a]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2	C(C[6]N[6,6a]C[6]H)(COO)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2{5|C<3>}	C(C[6]N[6,6a]C[6]H)(COO)(H)2	113.9760	0.000	1	113.9760	0.000	1	113.9760	0.000	1	112.0270	5.477	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:3:3:2:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	114.9650	0.000	1	114.9650	0.000	1	114.9650	0.000	1	113.2945	1.345	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>}	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	113.2945	1.345	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H)	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	113.2945	1.345	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(SiC3)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(SiC3)(H)2	113.1180	0.000	1	113.1180	0.000	1	113.1180	0.000	1	113.2945	1.345	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:4:4:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	117.8460	0.235	2	117.8460	0.055	2	117.8460	0.055	2	115.9463	5.016	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:1:1:	4:4:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	114.0465	0.746	2	114.0465	0.557	2	114.0465	0.557	2	115.9463	5.016	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:2:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:2:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	111.2210	1.263	2	111.2210	1.595	2	111.2210	1.595	2	111.2210	1.595	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:3:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(OS)(H)2	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:4:4:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	115.6470	0.000	1	115.6470	0.000	1	115.6470	0.000	1	115.6470	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	3:4:4:4:	4:3:4:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:N-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	112.3235	0.613	2	112.3235	0.376	2	112.3235	0.376	2	111.5145	3.779	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	110.7745	2.748	4	111.1393	4.870	6	111.1393	4.870	6	111.5145	3.779	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	111.8690	0.322	2	111.1393	4.870	6	111.1393	4.870	6	111.5145	3.779	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C(C[6]N[5,6]C[6]H)(H)3	110.3690	0.000	1	110.7880	0.351	2	110.7880	0.351	2	111.5145	3.779	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){4|C<3>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C(C[6]N[5,6]C[6]H)(H)3	111.2070	0.000	1	110.7880	0.351	2	110.7880	0.351	2	111.5145	3.779	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2	C(C[6]N[6,6a]C[6]H)(H)3	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2{3|C<3>}	C(C[6]N[6,6a]C[6]H)(H)3	111.7437	2.211	12	111.7437	4.889	12	111.7437	4.889	12	111.5145	3.779	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H){3|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	111.5145	3.779	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:3:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	110.6750	0.744	2	111.3710	1.730	3	111.3710	1.730	3	110.8894	1.300	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:3:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	112.7630	0.000	1	111.3710	1.730	3	111.3710	1.730	3	110.8894	1.300	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:3:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(COO)(H)2	110.1670	0.000	2	110.1670	0.000	2	110.1670	0.000	2	110.8894	1.300	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:4:4:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:1:1:	4:4:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-4:S-2:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(CH3)2(SC)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCCS)(H){1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(SC)	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	115.1120	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:3:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H)	C(C[6]C[5a,6]C[6]H)(H)3	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CH)(S[6]C[6,6a])(COO)(H){3|C<3>}	C(C[6]C[5a,6]C[6]H)(H)3	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:3:1:	4:4:3:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H){1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(COO)(H){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:4:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	108.4690	0.000	1	108.4690	0.000	1	110.9503	4.620	3	111.6602	3.255	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:4:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	112.1910	0.064	2	112.1910	0.004	2	110.9503	4.620	3	111.6602	3.255	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	112.7250	0.000	2	112.7250	0.000	2	112.7250	0.000	2	111.6602	3.255	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:2:4:2:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C(C[6]C[5a,6]C[6]H)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|N<2>,1|O<1>,3|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(H)3	111.3410	0.000	1	111.3410	0.000	1	111.3410	0.000	1	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C(C[6]C[5a,6]C[6]H)(F)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(F)3	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	111.1585	0.292	2	111.1585	0.085	2	111.8667	1.547	3	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	113.2830	0.000	1	113.2830	0.000	1	111.8667	1.547	3	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	111.3850	0.000	1	111.3850	0.000	1	118.6615	105.895	2	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	125.9380	0.000	1	125.9380	0.000	1	118.6615	105.895	2	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2	C(C[6]C[6,6a]C[6]H)(H)2(I)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)2(I)	110.9123	1.041	3	110.9123	1.084	3	110.9123	1.084	3	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2H)(H)3	111.2310	0.000	1	111.2310	0.000	1	111.9790	0.469	3	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2H)(H)3	112.3530	0.314	2	112.3530	0.099	2	111.9790	0.469	3	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|B<4>,1|C<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	112.6044	15.546	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C(C[6]C[5a,6]C[6]H)(NHS)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(NHS)(H)2	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	111.3452	1.234	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	110.6020	0.000	1	110.6020	0.000	1	112.0435	4.156	2	111.3452	1.234	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	113.4850	0.000	1	113.4850	0.000	1	112.0435	4.156	2	111.3452	1.234	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.3452	1.234	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)2	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.3452	1.234	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(NHS)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(NHS)(H)2	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	111.3452	1.234	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:3:2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OH)	112.9800	0.000	1	112.9800	0.000	1	112.5930	0.300	2	112.5930	0.300	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:3:3:2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	112.2060	0.000	1	112.2060	0.000	1	112.5930	0.300	2	112.5930	0.300	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	111.6000	1.728	2	111.6000	2.987	2	111.6000	2.987	2	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[3]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H){1|N<2>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	112.0601	1.613	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	113.5197	0.351	3	113.5197	0.123	3	113.6358	0.136	4	113.5677	0.872	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	113.9840	0.000	1	113.9840	0.000	1	113.6358	0.136	4	113.5677	0.872	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	113.0260	0.000	1	113.0260	0.000	1	113.0260	0.000	1	113.5677	0.872	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CClCC)(H){1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(Cl)	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	113.5677	0.872	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	113.5677	0.872	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:4:2:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:N-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(CH3)2(NN)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(NN)	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:1:1:	4:4:4:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	115.0940	0.010	2	115.0940	0.000	2	115.0940	0.000	2	115.0940	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:2:1:	4:3:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C(C[6]N[5a,6]C[6]H)(COO)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	113.3940	0.000	1	111.4410	3.416	3	111.8612	2.984	4	112.2320	2.925	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:2:1:	4:3:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C(C[6]N[5a,6]C[6]H)(COO)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	110.4645	1.054	2	111.4410	3.416	3	111.8612	2.984	4	112.2320	2.925	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:2:1:	4:3:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C(C[6]N[5a,6]C[6]H)(COS)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C(C[6]N[5a,6]C[6]H)(COS)(H)2	113.1220	0.000	1	113.1220	0.000	1	111.8612	2.984	4	112.2320	2.925	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:2:1:	4:3:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	112.2320	2.925	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:2:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:2:3:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO){4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	112.4370	0.887	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	C(C[6]N[5a,6]C[6]H)(H)3	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(H)3	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	112.4370	0.887	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:3:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(OS)(H)2	111.0330	0.110	2	111.0330	0.012	2	111.0330	0.012	2	111.0330	0.012	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H)	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	111.2295	0.212	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(COO)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)2	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.2295	0.212	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	112.6820	0.315	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	112.6820	0.315	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	111.8450	0.000	1	111.8450	0.000	1	110.5143	1.550	3	112.7578	9.567	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	109.8490	0.666	2	109.8490	0.444	2	110.5143	1.550	3	112.7578	9.567	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	110.5495	1.945	2	110.5495	3.784	2	114.5686	14.415	5	112.7578	9.567	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	117.2480	0.127	3	117.2480	0.016	3	114.5686	14.415	5	112.7578	9.567	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	111.5070	0.509	2	111.5070	0.259	2	111.5070	0.259	2	112.7578	9.567	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	112.7578	9.567	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:3:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[5a,6]C[6]H)(COO)2(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(COO)2(H)	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:3:3:2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	112.9005	0.545	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	113.2820	0.000	1	113.2820	0.000	1	113.2820	0.000	1	112.9005	0.545	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|N<2>,2|H<1>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	112.4650	0.000	1	112.4650	0.000	1	112.6225	0.050	2	112.9005	0.545	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	112.7800	0.000	1	112.7800	0.000	1	112.6225	0.050	2	112.9005	0.545	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	113.4775	0.866	2	113.4775	0.750	2	113.4775	0.750	2	112.9005	0.545	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:2:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H)	C(C[6]C[6,6a]C[6]H)(SiC3)2(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(C[6]C[6]2H)(H){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]H)(SiC3)2(H)	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.3800	0.168	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.3800	0.168	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:4:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	112.4603	0.186	3	112.4603	0.035	3	111.4438	4.157	4	111.4438	4.157	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:1:	4:4:4:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H){3|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	108.3940	0.000	1	108.3940	0.000	1	111.4438	4.157	4	111.4438	4.157	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:2:	4:3:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(CCO)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(CCO)(H)2	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:3:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS){2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	113.9860	0.000	1	113.9860	0.000	1	113.9860	0.000	1	111.8383	3.954	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:3:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	110.7645	0.995	2	110.7645	0.990	2	110.7645	0.990	2	111.8383	3.954	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:3:4:4:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:S-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.4795	0.042	2	113.4795	0.002	2	112.9087	0.978	3	112.9087	0.978	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.7670	0.000	1	111.7670	0.000	1	112.9087	0.978	3	112.9087	0.978	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-3:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	115.5450	0.000	1	115.5450	0.000	1	115.5450	0.000	1	113.5295	2.148	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	112.4645	0.316	2	112.4645	0.100	2	112.8577	0.514	3	113.5295	2.148	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	113.6440	0.000	1	113.6440	0.000	1	112.8577	0.514	3	113.5295	2.148	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	113.7452	2.091	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	113.1940	0.000	1	113.1940	0.000	1	113.1940	0.000	1	113.7452	2.091	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	115.1340	0.000	1	115.1340	0.000	1	113.5510	5.012	2	113.7452	2.091	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]HN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NCH)(H)	111.9680	0.000	1	111.9680	0.000	1	113.5510	5.012	2	113.7452	2.091	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	110.1770	0.270	2	110.1770	0.073	2	111.9613	3.032	8	111.9613	3.032	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	112.1230	0.000	2	112.1230	0.000	2	111.9613	3.032	8	111.9613	3.032	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	112.5205	1.399	2	112.5205	1.958	2	111.9613	3.032	8	111.9613	3.032	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	110.8010	0.000	1	110.8010	0.000	1	111.9613	3.032	8	111.9613	3.032	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	115.2480	0.000	1	115.2480	0.000	1	111.9613	3.032	8	111.9613	3.032	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	113.6180	0.075	2	113.6180	0.006	2	111.3680	3.865	10	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	113.0720	0.000	1	113.0720	0.000	1	111.3680	3.865	10	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.3720	0.000	1	111.3720	0.000	1	111.3680	3.865	10	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	109.3230	1.010	4	110.3333	3.066	6	111.3680	3.865	10	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	112.3540	0.139	2	110.3333	3.066	6	111.3680	3.865	10	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[5a,6]C[6]H)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(H)3	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(Cl)(H)2	113.6130	0.000	1	113.6130	0.000	1	113.6130	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]H)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(H)3	111.9190	0.000	1	111.9190	0.000	1	111.9190	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	108.7535	0.849	2	110.1570	3.699	4	110.1570	3.699	4	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	112.6780	0.000	1	110.1570	3.699	4	110.1570	3.699	4	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	110.4430	0.000	1	110.1570	3.699	4	110.1570	3.699	4	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.0767	0.908	3	111.0767	0.825	3	111.0767	0.825	3	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.9880	0.000	1	111.2528	0.050	4	111.2528	0.050	4	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	111.2350	0.000	1	111.2528	0.050	4	111.2528	0.050	4	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.3940	0.198	2	111.2528	0.050	4	111.2528	0.050	4	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	108.3245	0.506	2	108.3245	0.256	2	108.3245	0.256	2	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(Cl)(H)2	112.7830	0.362	3	112.7830	0.131	3	112.7830	0.131	3	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	111.4480	0.000	1	111.4480	0.000	1	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	108.9670	0.000	1	108.9670	0.000	1	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]CH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	110.4130	0.000	1	110.4130	0.000	1	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	113.6410	0.000	1	112.5463	1.189	3	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	112.5380	0.000	1	112.5463	1.189	3	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	111.4600	0.000	1	112.5463	1.189	3	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	106.6070	0.000	1	109.5185	1.218	10	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	109.8420	0.439	9	109.5185	1.218	10	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	111.2980	0.000	1	111.2980	0.000	1	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	112.0130	0.000	1	112.0130	0.000	1	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	110.0290	0.199	2	110.0290	0.040	2	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	113.1945	0.224	2	111.9197	4.901	3	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	109.3700	0.000	1	111.9197	4.901	3	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	113.1860	0.000	1	113.1860	0.000	1	110.6653	2.809	24	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(F)3	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.5920	0.000	1	111.5920	0.000	1	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3690	0.000	1	111.3690	0.000	1	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.3955	0.752	2	111.3600	0.205	4	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.4750	0.000	1	111.3600	0.205	4	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.1740	0.000	1	111.3600	0.205	4	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.9298	0.853	5	113.9298	0.728	5	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(H)3	110.7120	0.000	1	110.7120	0.000	1	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(H)3	110.4870	0.000	1	110.5220	0.002	2	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(H)3	110.5570	0.000	1	110.5220	0.002	2	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(H)3	111.8023	1.044	3	111.8023	1.090	3	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	113.7700	0.000	1	113.7700	0.000	1	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	113.8610	0.000	1	113.8610	0.000	1	112.2549	2.113	19	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[4,6]C[6]H)(H)3	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]N[4,6]C[6]H)(H)3	113.1550	0.000	1	113.1550	0.000	1	113.1550	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5,6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	C(C[6]N[5,6,6]C[6]H)(H)3	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,3|C<4>}	C(C[6]N[5,6,6]C[6]H)(H)3	110.5663	0.432	3	110.5663	0.186	3	110.5663	0.186	3	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2{3|C<3>}	C(C[6]N[5,6]C[6]H)(H)3	114.8650	0.000	1	114.8650	0.000	1	110.8315	5.157	6	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]N[5,6]C[6]H)(H)3	109.5472	0.753	4	109.5472	0.567	4	110.8315	5.157	6	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]N[5,6]C[6]H)(H)3	111.9350	0.000	1	111.9350	0.000	1	110.8315	5.157	6	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[6,6]C[6]H)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	111.7880	0.000	1	111.7880	0.000	1	112.9962	0.801	6	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]N[6,6]C[6]H)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	114.0075	0.078	2	113.2378	0.563	5	112.9962	0.801	6	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]N[6,6]C[6]H)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	112.7247	0.368	3	113.2378	0.563	5	112.9962	0.801	6	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.0630	2.261	2	111.0630	5.114	2	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	111.8080	0.000	1	111.8080	0.000	1	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]N[6]H)(H)3	114.5200	0.000	1	114.5200	0.000	1	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.6523	0.503	3	111.6523	0.253	3	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	110.8690	0.000	1	110.8690	0.000	1	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.9327	1.056	10	113.9327	1.115	10	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.8530	0.000	1	113.8530	0.000	1	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.9090	0.000	1	112.9090	0.000	1	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.5010	0.000	1	112.5010	0.000	1	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|P<3>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.1970	0.000	1	113.1970	0.000	1	113.0030	2.219	22	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C(C[6]C[6]S[6]H)(H)3	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	111.7345	3.265	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CN)(H)2	111.0103	0.869	3	111.0103	0.754	3	111.0103	0.754	3	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6]2H)(OC)(H)2	112.1570	0.000	1	112.1570	0.000	1	111.5770	0.348	3	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|S<2>}	C(C[6]C[6]2H)(OH)(H)2	110.9780	0.000	1	110.9780	0.000	1	111.5770	0.348	3	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C(C[6]C[6]2H)(OH)(H)2	111.5960	0.000	1	111.5960	0.000	1	111.5770	0.348	3	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(CN)(H)2	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]N[5,6]C[6]H)(CN)(H)2	113.2395	0.467	4	113.2395	0.218	4	113.1248	0.230	5	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(CN)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]N[5,6]C[6]H)(CN)(H)2	112.6660	0.000	1	112.6660	0.000	1	113.1248	0.230	5	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(OC)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(H)2	111.1660	0.000	1	111.1660	0.000	1	111.8880	0.417	4	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	111.9000	0.494	2	111.9000	0.244	2	111.8880	0.417	4	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	112.5860	0.000	1	112.5860	0.000	1	111.8880	0.417	4	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(OC)(H)2	113.2850	0.000	1	113.2850	0.000	1	113.2850	0.000	1	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(SC[6a])(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H){2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(SC[6a])(H)2	112.5410	1.721	4	112.5410	2.963	4	112.5410	2.963	4	112.2147	1.249	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(CC[6a]O)(H)2	110.3960	0.000	1	110.3960	0.000	1	111.4340	2.155	2	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]H)(CHO)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(CHO)(H)2	112.4720	0.000	1	112.4720	0.000	1	111.4340	2.155	2	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5a,6]C[6]H)(NCC)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(NCC)(H)2	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H)	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2{1|O<2>,5|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	106.8980	0.000	1	106.8980	0.000	1	110.8033	4.989	7	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(NHS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(NHS)(H)2	111.2140	0.000	1	111.2140	0.000	1	110.8033	4.989	7	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	109.8760	0.000	1	109.8760	0.000	1	110.8033	4.989	7	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	110.5990	0.994	2	110.5990	0.988	2	110.8033	4.989	7	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	113.8960	0.000	1	113.8960	0.000	1	110.8033	4.989	7	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(NOO)(H)2	112.5410	0.000	1	112.5410	0.000	1	110.8033	4.989	7	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCO)(H)2	110.1900	0.000	1	110.1900	0.000	1	108.8478	0.881	4	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	108.4003	0.346	3	108.4003	0.120	3	108.8478	0.881	4	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2H)(COO)(H)2	111.8375	0.131	2	111.8375	0.017	2	112.1726	0.545	8	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2H)(COO)(H)2	113.5060	0.000	1	113.5060	0.000	1	112.1726	0.545	8	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(CNO)(H)2	111.9275	0.011	2	112.3353	0.499	3	112.1726	0.545	8	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CNO)(H)2	113.1510	0.000	1	112.3353	0.499	3	112.1726	0.545	8	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(COO)(H)2	111.5970	0.229	2	111.5970	0.052	2	112.1726	0.545	8	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(CC[6a]O)(H)2	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(C[6]N[5,6]C[6]H)(CC[6a]O)(H)2	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)(H)2	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	113.1725	0.582	2	113.1725	0.339	2	113.1725	0.339	2	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	109.9770	0.110	2	109.9770	0.012	2	109.9770	0.012	2	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	115.9290	0.000	1	116.4265	0.495	2	116.4265	0.495	2	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|N<2>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	116.9240	0.000	1	116.4265	0.495	2	116.4265	0.495	2	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	S[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6](S[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	112.7735	0.090	2	112.7735	0.008	2	112.7735	0.008	2	111.6404	4.570	34	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:2:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(COO)(OH)(H)	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	111.7200	0.603	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:2:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)(H)	111.5720	0.000	1	111.5720	0.000	1	111.5720	0.000	1	111.7200	0.603	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:2:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(OH)(H)	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.7200	0.603	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(OSi)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(COO)(OSi)(H)	110.7560	0.000	1	110.7560	0.000	1	111.6615	1.640	2	111.7200	0.603	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCC)(OH)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C(C[6]C[6]2H)(CCC)(OH)(H)	112.5670	0.000	1	112.5670	0.000	1	111.6615	1.640	2	111.7200	0.603	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCH)(COO)(H)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	111.8670	3.244	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)2(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(CCH)2(H)	113.0850	0.918	2	113.0850	0.842	2	113.0850	0.842	2	111.8670	3.244	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:3:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	110.1890	0.000	1	111.7090	4.621	2	111.7090	4.621	2	111.8670	3.244	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:3:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){2|H<1>,2|N<3>}	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	113.2290	0.000	1	111.7090	4.621	2	111.7090	4.621	2	111.8670	3.244	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	114.1675	0.139	2	114.1675	0.019	2	114.1675	0.019	2	115.4395	2.385	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C-4:C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	116.7115	0.814	2	116.7115	0.662	2	116.7115	0.662	2	115.4395	2.385	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:3:4:2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	115.2215	0.026	4	115.2215	0.001	4	115.2215	0.001	4	115.2215	0.001	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	108.8700	2.497	4	108.8700	6.235	4	109.9792	10.828	5	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	114.4160	0.000	1	114.4160	0.000	1	109.9792	10.828	5	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	107.5430	0.000	1	107.5430	0.000	1	107.5430	0.000	1	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	108.9150	0.000	1	108.9150	0.000	1	110.8820	7.738	2	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2{1|N<2>,1|N<3>,2|F<1>}	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	112.8490	0.000	1	112.8490	0.000	1	110.8820	7.738	2	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	110.6045	0.251	2	110.6045	0.063	2	110.6045	0.063	2	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	114.4792	2.598	5	114.4792	6.751	5	114.1546	4.808	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{2|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.3430	0.010	2	113.3430	0.000	2	114.1546	4.808	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	109.1320	0.000	1	109.1320	0.000	1	112.0379	5.556	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CHHN)(H)2	113.0130	0.000	1	113.0130	0.000	1	112.0379	5.556	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	110.8570	0.000	1	110.8570	0.000	1	112.0379	5.556	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	111.6610	0.000	1	111.6610	0.000	1	112.0379	5.556	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	110.6660	0.000	1	110.6660	0.000	1	112.0379	5.556	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2{6|C<3>}	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	112.3810	0.000	1	112.3810	0.000	1	112.0379	5.556	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	116.5550	0.000	1	116.5550	0.000	1	112.0379	5.556	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)2	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	111.4230	0.000	1	111.4230	0.000	1	112.2447	2.705	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CHHN)(H)2	113.0480	0.000	1	113.0480	0.000	1	112.2447	2.705	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	110.9103	0.709	3	110.9103	0.503	3	112.2447	2.705	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	114.7430	0.000	1	114.7430	0.000	1	112.2447	2.705	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)(H)2	113.7680	0.000	1	113.7680	0.000	1	112.2447	2.705	7	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2H)2(H)2	115.0740	2.789	2	115.0740	7.778	2	115.0740	7.778	2	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	113.2530	0.000	1	113.2530	0.000	1	113.2530	0.000	1	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H)	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H){1|O<2>,4|C<4>}	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B-4:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<3>}	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	115.7410	0.000	1	115.7410	0.000	1	115.7410	0.000	1	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	111.8820	0.000	1	111.8820	0.000	1	112.5093	0.594	3	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	113.3700	0.000	1	113.3700	0.000	1	112.5093	0.594	3	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	112.2760	0.000	1	112.2760	0.000	1	112.5093	0.594	3	112.0719	6.881	42	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:2:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	113.6007	8.462	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:2:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:O-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	113.6007	8.462	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CC[5]HO)(H){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	113.6007	8.462	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	116.4380	0.000	1	116.4380	0.000	1	116.4380	0.000	1	114.0450	2.386	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[5]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	114.0450	2.386	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]2H)(CH3)(COO)(H)	113.5160	1.292	4	113.5160	1.670	4	113.5160	1.670	4	114.0450	2.386	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	111.3803	1.207	3	111.3803	1.457	3	112.1430	3.298	4	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	114.4310	0.000	1	114.4310	0.000	1	112.1430	3.298	4	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	108.4120	0.000	2	110.0665	3.748	4	110.0665	3.748	4	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	111.7210	0.542	2	110.0665	3.748	4	110.0665	3.748	4	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.2200	0.000	1	111.2200	0.000	1	111.2200	0.000	1	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	109.9120	0.000	1	109.9120	0.000	1	112.0200	3.688	3	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.6700	0.000	1	113.0740	0.710	2	112.0200	3.688	3	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.4780	0.000	1	113.0740	0.710	2	112.0200	3.688	3	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2{3|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	112.6114	1.840	8	112.6114	3.386	8	112.5763	2.974	9	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	112.2960	0.000	1	112.2960	0.000	1	112.5763	2.974	9	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	114.5450	0.000	1	114.1573	0.186	3	114.0932	6.135	10	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	113.9635	0.384	2	114.1573	0.186	3	114.0932	6.135	10	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	116.3025	0.148	2	116.3025	0.022	2	114.0932	6.135	10	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(CH3)2(H)	116.2060	0.000	1	116.2060	0.000	1	114.0932	6.135	10	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	115.0605	1.049	2	115.0605	1.100	2	114.0932	6.135	10	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	109.7640	0.355	2	109.7640	0.126	2	114.0932	6.135	10	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	113.7855	0.124	2	113.7855	0.015	2	113.7855	0.015	2	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	C(C[6]C[6]N[6]H)(CCHH)2(H)	114.5640	0.000	1	114.5640	0.000	1	114.5640	0.000	1	112.5974	4.820	37	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)3	116.0410	0.000	1	116.0410	0.000	1	116.0410	0.000	1	116.0410	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.6860	0.000	1	113.6860	0.000	1	113.6345	0.005	2	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.5830	0.000	1	113.5830	0.000	1	113.6345	0.005	2	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]N[5a,6]C[6]H)(H)3	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	C(C[6]N[5a,6]C[6]H)(H)3	112.5695	0.691	2	112.5695	0.477	2	113.1043	0.812	4	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]N[5a,6]C[6]H)(H)3	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]N[5a,6]C[6]H)(H)3	113.6390	0.902	2	113.6390	0.814	2	113.1043	0.812	4	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.8050	0.000	1	113.8050	0.000	1	112.6050	3.949	4	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	110.9395	0.564	2	110.9395	0.318	2	112.6050	3.949	4	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6]H)(H)3	114.7360	0.000	1	114.7360	0.000	1	112.6050	3.949	4	112.8051	1.823	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	113.9760	0.000	1	113.9760	0.000	1	113.9760	0.000	1	110.9446	7.192	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:2:1:1:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]N[5,6]C[6]H)(OH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]N[5,6]C[6]H)(OH)(H)2	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	110.9446	7.192	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:2:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]N[6,6]C[6]H)(OC)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]N[6,6]C[6]H)(OC)(H)2	109.0053	0.516	3	109.0053	0.266	3	109.0053	0.266	3	110.9446	7.192	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2H)(H)2	111.8750	0.000	1	111.8750	0.000	1	111.8750	0.000	1	113.2536	6.481	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.5220	0.158	2	113.5220	0.025	2	113.1010	8.071	5	113.2536	6.481	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.8203	3.979	3	112.8203	15.835	3	113.1010	8.071	5	113.2536	6.481	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	115.3950	0.000	1	115.3950	0.000	1	115.3950	0.000	1	113.2536	6.481	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:1:	4:4:2:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:2:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(H)3	112.4445	0.623	4	112.4445	0.388	4	112.4445	0.388	4	112.4445	0.388	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:2:2:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|O<2>,3|C<3>}	C(C[6]C[6]2H)(CHHO)(H)2	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(CC[5a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	114.2580	0.000	2	114.2580	0.000	2	114.2580	0.000	2	114.2580	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[5a])(C[6]C[5,6]CH)(CH3)(H){1|C<4>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C(C[6]C[6]2H)(H)3	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)2(CCO)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	115.4130	0.000	1	115.4130	0.000	1	114.7535	0.870	2	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	114.0940	0.000	1	114.0940	0.000	1	114.7535	0.870	2	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]N[5,3x6]C[6,6a]H)(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	C(C[6]C[6]N[6]H)(F)3	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(F)3	110.3883	0.285	3	110.3883	0.081	3	110.3883	0.081	3	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	114.1850	0.000	1	114.1850	0.000	1	114.1850	0.000	1	112.7570	4.058	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]CH)(CC[6a]O)(H){1|O<2>,5|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[5]C[5]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	111.8690	2.361	5	111.8690	5.574	5	111.8690	5.574	5	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]2H)(C[6]O[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	109.4983	0.448	3	109.4983	0.201	3	110.1367	1.872	6	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){1|Br<1>,1|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	112.8370	0.000	1	110.7750	3.256	3	110.1367	1.872	6	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]O[6]H)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	109.7440	0.368	2	110.7750	3.256	3	110.1367	1.872	6	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	112.1907	0.384	3	112.1907	0.147	3	112.0331	2.072	11	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]C[5])(H)2	112.1200	0.000	1	112.1200	0.000	1	112.0331	2.072	11	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	111.6293	2.593	3	111.6293	6.725	3	112.0331	2.072	11	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	113.5150	0.000	1	113.5150	0.000	1	112.0331	2.072	11	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	111.4350	0.000	1	111.4350	0.000	1	112.0331	2.072	11	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	110.5350	0.000	1	110.5350	0.000	1	112.0331	2.072	11	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)(H)2	113.2990	0.000	1	113.2990	0.000	1	112.0331	2.072	11	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	111.4103	3.359	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	113.0070	0.222	2	113.0070	0.049	2	113.0070	0.049	2	111.4500	3.351	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	111.4500	3.351	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	111.4500	3.351	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:3:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	111.4660	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	112.5200	0.000	1	112.5200	0.000	1	112.5200	0.000	1	112.7050	2.411	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	114.3420	0.000	1	114.3420	0.000	1	114.3420	0.000	1	112.7050	2.411	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:1:	4:4:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	112.7050	2.411	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:N-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(NOO)(H)2	115.6090	0.000	1	115.6090	0.000	1	115.6090	0.000	1	114.0595	4.802	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(COO)2	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(COO)2{1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CCO)(H)2	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	114.0595	4.802	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:3:3:	4:3:3:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-3:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2	C(C[6]C[5a,6]C[6]H)(COO)2(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(COO)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(COO)2(H)	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	113.2538	3.660	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	114.5850	0.000	1	114.5850	0.000	1	114.5850	0.000	1	113.2538	3.660	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	113.2538	3.660	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]N[6,6]C[6]H)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	113.2538	3.660	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H)	C(C[6]N[6,6a]C[6]H)(H)3	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H){3|C<3>}	C(C[6]N[6,6a]C[6]H)(H)3	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	113.2538	3.660	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(H)2	112.8290	0.304	3	112.8290	0.092	3	112.8290	0.092	3	112.8290	0.092	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H){2|C<3>}	C(C[6]C[6,6a]C[6]H)(COO)2(H)	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	108.8600	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	115.4494	5.921	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	115.4494	5.921	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	116.1624	2.298	5	116.1624	5.281	5	116.1624	5.281	5	115.4494	5.921	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H){3|C<3>}	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	113.4240	0.239	2	113.4240	0.057	2	113.4240	0.057	2	115.4494	5.921	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	115.4494	5.921	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:3:2:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5a,6]C[6]H)(CF3)(COO)(OH)	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.2510	1.842	3	113.2510	3.393	3	113.2510	3.393	3	113.2510	3.393	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-3:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3])(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:2:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]N[5a,6]C[6]H)(H)3	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	C(C[6]N[5a,6]C[6]H)(H)3	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	114.3180	0.400	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	114.7650	0.000	1	114.7650	0.000	1	114.7650	0.000	1	114.3180	0.400	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:3:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]O)(H)2	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	112.5320	1.948	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:3:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	C(C[6]C[6]2H)(CCO)(H)2	113.5190	0.000	1	113.5190	0.000	1	113.5190	0.000	1	112.5320	1.948	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	C[6](C[6]N[6]CH)2(CH3)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]CH)2(CH3)2{1|B<3>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.9485	0.302	2	113.9485	0.091	2	113.9485	0.091	2	113.9485	0.091	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H){1|O<2>,3|H<1>,6|C<4>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	114.6590	0.000	1	114.6590	0.000	1	114.6590	0.000	1	114.6590	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:1:	5:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:H-1:	Nb[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H)	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2	C(C[6]C[6,6a]C[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2{5|C<3>}	C(C[6]C[6,6a]C[6]H)(H)3	111.8935	0.309	2	111.8935	0.095	2	111.8935	0.095	2	111.8935	0.095	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	112.6240	0.245	2	112.6240	0.060	2	112.6240	0.060	2	112.4793	0.093	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:O-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	112.4793	0.093	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CH3)(OC){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:2:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:C-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	113.6150	0.376	2	113.6150	0.142	2	113.6150	0.142	2	112.1873	2.900	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:2:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	110.7595	0.637	2	110.7595	0.406	2	110.7595	0.406	2	112.1873	2.900	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:2:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(CCC)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CCC)(H)2	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	2:4:3:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:C-2:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	107.6620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	3:4:2:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CCH)(H)2	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	3:4:2:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	3:4:3:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:C-3:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F){1|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	110.6190	1.246	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	3:4:3:1:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H)	C(C[6]N[5a,6]C[6]O)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H){1|H<1>,4|C<3>}	C(C[6]N[5a,6]C[6]O)(H)3	111.1050	0.673	3	111.1050	0.452	3	111.1050	0.452	3	110.6190	1.246	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:2:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	C(C[6]C[6]2O)(H)3	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2	C(C[6]C[6,6a]C[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(F)3	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	109.6553	0.146	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	109.4715	0.299	2	109.4715	0.089	2	109.4715	0.089	2	109.6553	0.146	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:3:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:3:3:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C(C[6]C[6,6a]C[6]O)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]O)(COO)(H)2	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:3:4:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHO)(H)	114.0160	0.000	1	114.0160	0.000	1	112.9260	2.376	2	112.9260	2.376	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	3:4:3:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	111.8360	0.000	1	111.8360	0.000	1	112.9260	2.376	2	112.9260	2.376	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2	C(C[6]C[5a,6]C[6]O)(F)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2{1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[5a,6]C[6]O)(F)3	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2	C(C[6]C[6,6a]C[6]O)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O)(F)3	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2O)(H)3	110.1130	0.000	1	110.1130	0.000	1	110.6917	1.994	3	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|N<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	110.9810	1.867	2	110.9810	3.485	2	110.6917	1.994	3	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2	C(C[6]N[5,6]C[6]O)(H)3	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]N[5,6]C[6]O)(H)3	111.9440	0.349	2	111.9440	0.122	2	111.9440	0.122	2	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2	C(C[6]N[5a,6]C[6]O)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]N[5a,6]C[6]O)(H)3	112.5150	0.000	1	112.5150	0.000	1	112.5150	0.000	1	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]N[6,6]C[6]C)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]N[6,6]C[6]C)(H)3	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	110.8209	2.018	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(OH)(H)2	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	110.7510	12.741	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2O)(CCH)(H)2	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	110.7510	12.741	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:3:4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	109.9150	0.000	1	109.9063	0.262	3	109.9063	0.262	3	110.1269	3.830	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	110.4140	0.000	1	109.9063	0.262	3	109.9063	0.262	3	110.1269	3.830	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	109.3900	0.000	1	109.9063	0.262	3	109.9063	0.262	3	110.1269	3.830	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	110.1269	3.830	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	108.1465	0.302	2	108.1465	0.091	2	108.1465	0.091	2	110.1269	3.830	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CC[6]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2O)(CC[6]HH)(H)2	113.7970	0.000	1	113.7970	0.000	1	113.7970	0.000	1	110.1269	3.830	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:3:1:	N[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	111.4730	3.572	2	111.4730	12.761	2	112.3634	4.003	5	112.3634	4.003	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	112.9040	0.769	2	112.9040	0.592	2	112.3634	4.003	5	112.3634	4.003	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	113.0630	0.000	1	113.0630	0.000	1	112.3634	4.003	5	112.3634	4.003	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]O)(H)3	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	113.8660	2.735	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	112.9835	0.958	4	112.9835	0.917	4	112.9835	0.917	4	113.8660	2.735	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C(C[6]N[6,6]C[6]O)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	116.6570	0.000	1	115.5827	0.907	3	115.5827	0.907	3	113.8660	2.735	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C(C[6]N[6,6]C[6]O)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	114.8430	0.000	1	115.5827	0.907	3	115.5827	0.907	3	113.8660	2.735	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C(C[6]N[6,6]C[6]O)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	115.2480	0.000	1	115.5827	0.907	3	115.5827	0.907	3	113.8660	2.735	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	114.2340	0.006	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H)	C(C[6]N[5a,6]C[6]O)(H)3	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]CO)(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]N[5a,6]C[6]O)(H)3	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	114.2340	0.006	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:3:4:	4:4:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(CH3)(H)2	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:4:1:	4:3:3:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H){2|C<3>}	C(C[6]C[6,6a]C[6]O)(C[6a]C[6a]2)2(H)	109.9580	1.369	2	109.9580	1.874	2	109.9580	1.874	2	109.9580	1.874	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:4:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.9970	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:4:3:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6,6a]C[6]O)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO){3|C<3>}	C(C[6]C[6,6a]C[6]O)(H)3	112.1260	0.000	1	112.1260	0.000	1	112.1260	0.000	1	113.2075	1.707	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:4:3:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	114.3355	0.162	2	114.3355	0.026	2	113.5680	1.780	3	113.2075	1.707	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:4:3:	4:1:1:1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO){1|O<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	112.0330	0.000	1	112.0330	0.000	1	113.5680	1.780	3	113.2075	1.707	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:2:	4:4:4:3:	4:3:1:1:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS)	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(H)2	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	113.0780	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	110.4730	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	3:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(COO){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(COO)(H)2	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO){4|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[5a,6]C[6]C)(H)3	111.3890	0.000	1	111.3890	0.000	1	111.3890	0.000	1	111.3890	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(COO){1|Fe<10>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	3:4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	111.2294	0.774	5	111.2294	0.599	5	111.2294	0.599	5	111.2294	0.599	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	111.0770	0.000	1	111.0770	0.000	1	111.0770	0.000	1	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.4990	0.000	1	110.4990	0.000	1	109.6442	0.550	4	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.9770	0.000	1	109.9770	0.000	1	109.6442	0.550	4	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.2790	0.000	1	109.0505	0.104	2	109.6442	0.550	4	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(COO){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.8220	0.000	1	109.0505	0.104	2	109.6442	0.550	4	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2{5|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.0920	0.537	3	109.2024	0.592	5	109.0588	0.443	8	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	109.3680	1.304	2	109.2024	0.592	5	109.0588	0.443	8	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.8193	0.480	3	108.8193	0.230	3	109.0588	0.443	8	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){1|I<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	110.8252	0.347	4	110.5724	0.190	7	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	110.2353	0.303	3	110.5724	0.190	7	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.4223	0.761	4	110.6792	3.209	13	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.5460	0.000	1	110.6792	3.209	13	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1993	2.137	8	110.6792	3.209	13	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.9675	0.378	2	111.1762	0.084	5	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.3740	0.163	2	111.1762	0.084	5	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.1980	0.000	1	111.1762	0.084	5	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.8230	0.000	1	110.8230	0.000	1	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.8740	0.000	1	110.8740	0.000	1	110.7561	1.585	27	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	109.9930	0.693	3	109.9930	0.481	3	109.9930	0.481	3	110.2977	1.571	44	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:2:1:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	108.4540	0.000	1	108.4540	0.000	1	108.4540	0.000	1	110.6926	5.507	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(CNO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	111.2185	0.186	2	111.2185	0.035	2	110.3063	2.513	3	110.6926	5.507	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHN)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	108.4820	0.000	1	108.4820	0.000	1	110.3063	2.513	3	110.6926	5.507	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2N)(CCH)(H)2	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	110.6926	5.507	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	109.1885	0.060	2	109.1885	0.004	2	109.1885	0.004	2	110.4033	4.429	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(COO){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	110.4033	4.429	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCCH)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	109.5340	0.000	1	109.5340	0.000	1	111.1690	3.083	3	111.1690	3.083	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	111.9865	1.469	2	111.9865	2.157	2	111.1690	3.083	3	111.1690	3.083	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	111.0904	0.601	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.4745	0.596	2	111.4745	0.355	2	111.4745	0.355	2	111.0904	0.601	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:3:	4:4:2:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	110.9265	1.227	2	110.9265	1.505	2	110.9265	1.505	2	111.0904	0.601	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	2:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:S-4:C-4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2	C(C[6]C[6]2S)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2S)(CCH)(H)2	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	2:4:3:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	S[6]-2:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2{1|C<3>,1|N<2>}	C[6](S[6]C[5a,6])(C[6]N[6]CC)(CC[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6]C)(H)3	110.2385	0.984	2	110.2385	0.967	2	110.2385	0.967	2	110.2385	0.967	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(CH3)2{1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]C)(H)3	109.5510	3.429	2	109.5510	11.761	2	109.5510	11.761	2	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.3675	1.713	2	109.3675	2.935	2	109.3675	2.935	2	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]CC)(H)2{1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	109.8675	0.558	2	109.8675	0.311	2	108.7140	2.298	10	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	108.8020	0.017	2	108.8020	0.000	2	108.7140	2.298	10	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.5045	0.914	2	109.3875	0.318	4	108.7140	2.298	10	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.2705	0.252	2	109.3875	0.318	4	108.7140	2.298	10	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{3|C<3>}	C(C[6]C[6]2C)(H)3	106.1255	1.234	2	106.1255	1.523	2	108.7140	2.298	10	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[5,6]C[6]C)(H)3	110.7122	0.785	4	110.7122	0.617	4	110.1233	1.462	6	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2{6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[5,6]C[6]C)(H)3	108.9455	1.139	2	108.9455	1.298	2	110.1233	1.462	6	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	110.5847	0.345	4	110.5847	0.119	4	110.5847	0.119	4	109.5023	2.448	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(SC[6a]OO)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHHS)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{3|C<3>}	C(C[6]C[6]2C)(SC[6a]OO)(H)2	106.2740	0.448	2	106.2740	0.201	2	106.2740	0.201	2	106.2740	0.201	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:2:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	109.4790	0.503	2	109.4790	0.253	2	109.4720	0.107	4	109.4720	0.107	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:2:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]HO)(CH3)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	109.4650	0.262	2	109.4650	0.068	2	109.4720	0.107	4	109.4720	0.107	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:3:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2{2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	108.9430	3.295	2	108.9430	10.858	2	108.9430	10.858	2	108.9430	10.858	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:4:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.2170	6.002	2	111.2170	36.023	2	111.2170	36.023	2	110.6749	10.997	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]C[5]H)(CH3)2{1|N<2>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	110.2880	4.548	2	110.2880	20.685	2	110.2880	20.685	2	110.6749	10.997	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:4:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(H)3	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	110.6749	10.997	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	111.6985	0.855	2	111.6985	0.731	2	111.6985	0.731	2	110.6749	10.997	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:4:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(CC[6a]HO)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(C[6a]C[6a]2)(H)(O)	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	111.4050	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	3:4:4:4:	4:1:1:1:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	112.5150	1.308	2	112.5150	1.711	2	112.5150	1.711	2	112.5150	1.711	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N[3,6]-3:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[3,6]C[3,6,6]C[3,6])(C[6]O[6]HH)(CH3)2	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2	C(C[6]N[3,6]C[6]C)(H)3	C[6](N[3,6]C[3,6,6]C[3,6])(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C(C[6]N[3,6]C[6]C)(H)3	109.3520	1.830	2	109.3520	3.349	2	109.3520	3.349	2	109.3520	3.349	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:2:3:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2{2|C<3>}	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	110.3660	1.222	2	110.3660	1.493	2	110.3660	1.493	2	110.3660	1.493	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9615	0.019	2	109.1770	0.305	6	109.1770	0.305	6	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.2848	0.680	4	109.1770	0.305	6	109.1770	0.305	6	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.4180	0.000	1	108.4180	0.000	1	108.1376	4.247	17	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.6635	1.655	2	108.6635	2.740	2	108.1376	4.247	17	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.4395	0.780	2	109.2450	0.472	6	108.1376	4.247	17	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.1478	0.739	4	109.2450	0.472	6	108.1376	4.247	17	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	107.1406	2.589	8	107.1406	6.701	8	108.1376	4.247	17	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	106.9625	0.882	2	106.9625	0.778	2	106.9625	0.778	2	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	107.8365	0.589	2	107.8365	0.347	2	107.8365	0.347	2	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3){1|Nb<4>,2|Si<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C(C[6]C[6a]C[6]2)(H)3	110.3208	0.121	4	110.3208	0.015	4	110.3208	0.015	4	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|O<1>}	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2{3|C<3>}	C(C[6]N[5,6]C[6]C)(H)3	110.0350	0.834	2	110.0350	0.696	2	109.0665	3.159	8	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2{1|Si<5>,2|N<2>}	C(C[6]N[5,6]C[6]C)(H)3	108.7437	1.945	6	108.7437	3.783	6	109.0665	3.159	8	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]P[6]C)(H)3	109.0378	0.456	4	109.0378	0.208	4	109.0378	0.208	4	108.6736	2.849	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:2:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(OC)(H)2	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	110.6295	4.679	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	C(C[6]C[6a]C[6]2)(NOO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(NOO)(H)2	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	110.6295	4.679	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:3:3:2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	113.6220	0.000	1	113.6220	0.000	1	111.7193	2.958	3	111.7193	2.958	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	111.2610	0.000	1	111.2610	0.000	1	111.7193	2.958	3	111.7193	2.958	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	110.2750	0.000	1	110.2750	0.000	1	111.7193	2.958	3	111.7193	2.958	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.9715	0.299	2	108.9715	0.089	2	108.9715	0.089	2	108.5270	0.481	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	108.5270	0.481	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	C(C[6]C[6,6a]C[6]C)(H)2(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]C)(H)2(I)	107.5520	0.000	1	107.5520	0.000	1	107.5520	0.000	1	108.5270	0.481	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:2:1:	4:4:3:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	111.2175	0.117	2	111.2175	0.014	2	111.2175	0.014	2	111.2175	0.014	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(CC[6a]O)(H){2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.0825	1.312	2	109.0825	1.721	2	109.0825	1.721	2	109.9497	3.116	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:3:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(H)3	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	109.9497	3.116	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:3:3:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH){2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	111.1403	0.107	3	111.1403	0.011	3	111.1403	0.011	3	111.1403	0.011	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:3:4:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	110.3395	0.630	2	110.3395	0.397	2	110.3395	0.397	2	110.3395	0.397	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:3:4:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	110.7755	0.619	2	110.7755	0.383	2	110.7755	0.383	2	110.7755	0.383	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:4:1:	4:2:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]C)(OH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(OH)(H)2	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:3:4:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H)	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H){1|Si<5>,2|N<2>}	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	109.0225	1.740	2	109.0225	3.028	2	109.0225	3.028	2	109.0225	3.028	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.9960	0.000	1	109.9450	0.005	2	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[5,6]C[6]C)(H)3	109.8940	0.000	1	109.9450	0.005	2	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	110.4510	0.000	1	110.4510	0.000	1	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.6208	1.198	6	108.8669	3.329	16	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	108.4146	2.036	10	108.8669	3.329	16	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2{3|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	109.7605	2.446	2	109.7605	5.982	2	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	110.6275	2.100	4	110.6275	4.408	4	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	110.4480	4.896	4	110.4480	23.969	4	109.5184	5.628	29	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(H)3	111.5600	0.000	1	111.5600	0.000	1	110.9840	0.664	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(H)3	110.4080	0.000	1	110.4080	0.000	1	110.9840	0.664	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6]C[5a]C[6]2)(H)3	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5a]C[6]2)(H)3	111.0415	0.330	2	111.0415	0.109	2	111.0415	0.109	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2	C(C[6]C[6,6]C[5]C[6])(H)3	C[6](C[6,6]C[3x6]C[6])(C[5]C[5]O[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[5]C[6])(H)3	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9815	2.507	2	110.9815	6.284	2	110.9815	6.284	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.9805	1.183	2	108.9805	1.399	2	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	109.2405	1.166	2	109.0310	2.736	4	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	108.8215	2.583	2	109.0310	2.736	4	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4313	2.323	4	108.4313	5.397	4	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6467	1.414	4	108.7217	1.583	36	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	108.4940	0.997	2	108.7217	1.583	36	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.8676	1.064	12	108.7217	1.583	36	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.3802	1.428	6	108.7217	1.583	36	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6245	4.006	2	108.7217	1.583	36	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.8466	0.970	10	108.7217	1.583	36	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|N<3>,2|O<2>}	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.0265	3.778	2	109.0265	14.274	2	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.8965	3.613	2	108.8965	13.051	2	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.7410	1.431	8	110.4854	2.016	16	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	110.2297	1.457	8	110.4854	2.016	16	109.1728	2.711	66	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:N-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NCdCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6]C[6]N)(H)3	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.4320	3.537	2	109.4320	12.510	2	109.4320	12.510	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2{1|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.1518	2.649	6	109.1518	7.018	6	109.3268	4.337	32	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.3672	1.991	26	109.3672	3.965	26	109.3268	4.337	32	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.3475	0.350	2	108.8738	0.756	4	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	108.4000	1.117	2	108.8738	0.756	4	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	107.7995	3.423	2	107.7995	11.718	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.1730	2.497	4	108.1730	6.235	4	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	108.7180	0.000	1	108.7180	0.000	1	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	107.7810	4.036	6	108.7288	7.221	16	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.2974	1.424	10	108.7288	7.221	16	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2{3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.2755	0.824	2	109.2755	0.679	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	107.3150	0.068	2	107.3150	0.005	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.1515	2.887	2	109.1515	8.335	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	109.5104	2.394	8	109.5104	5.730	8	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.7207	1.297	4	108.8009	2.783	78	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.8170	1.008	2	108.8009	2.783	78	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	108.9259	1.622	54	108.8009	2.783	78	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	108.9745	1.411	14	108.8009	2.783	78	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	106.5782	2.699	4	108.8009	2.783	78	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.0295	1.913	2	108.0295	3.659	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.4680	0.692	4	109.2879	1.325	8	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.1077	1.589	4	109.2879	1.325	8	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	109.1795	3.576	2	109.1795	12.787	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	110.3320	3.161	10	110.0230	9.814	16	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.5080	3.309	6	110.0230	9.814	16	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2{2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.8830	3.917	2	108.8830	15.346	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	109.5135	5.270	2	109.5135	27.774	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	108.8285	0.185	2	108.8285	0.034	2	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	110.0530	1.378	6	110.1047	1.477	12	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	110.1563	1.160	6	110.1047	1.477	12	109.0363	4.202	165	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2	C(C[6]C[6,6a]C[6]C)(H)2(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2{4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)2(I)	112.1330	0.274	2	112.1330	0.075	2	112.1330	0.075	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	110.5030	0.372	2	110.5030	0.138	2	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	109.7745	0.690	4	109.7745	0.477	4	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	108.7500	0.000	1	108.7500	0.000	1	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3){1|Mn<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|Mn<8>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	109.6080	0.000	1	109.6080	0.000	1	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.2510	2.440	2	108.2510	5.951	2	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|N<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	108.7400	3.297	2	108.7400	10.867	2	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4927	0.904	3	110.4927	0.817	3	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.2925	0.780	2	110.2330	0.307	4	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	110.1735	0.545	2	110.2330	0.307	4	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	108.7532	1.368	6	108.7532	1.872	6	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.0292	0.641	4	110.1281	0.553	22	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.0785	0.904	12	110.1281	0.553	22	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	110.4540	0.311	2	110.1281	0.553	22	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.5575	0.639	2	110.1281	0.553	22	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	109.8680	0.320	2	110.1281	0.553	22	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.4720	0.000	1	109.4720	0.000	1	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.8217	0.978	4	110.8217	0.956	4	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.7325	3.326	2	110.7325	11.059	2	109.8966	1.541	54	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]3)(H)3	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:N-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2N)(H)3	114.4140	0.000	1	114.4140	0.000	1	114.4140	0.000	1	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	110.2260	0.000	1	110.2260	0.000	1	110.7630	0.332	3	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6a]C[6]2)(H)3	111.0315	0.482	2	111.0315	0.232	2	110.7630	0.332	3	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]C)(H)3	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<5>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,3|C<4>}	C(C[6]N[6,6]C[6]C)(H)3	109.8470	1.366	2	109.8470	1.866	2	109.8470	1.866	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2{1|Si<5>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<4>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.6360	1.881	4	107.6360	3.538	4	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.3137	2.170	4	107.3158	8.290	8	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.3178	3.826	4	107.3158	8.290	8	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	110.9555	0.549	4	110.9555	0.301	4	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2{3|C<3>}	C(C[6]C[6]N[6]C)(H)3	107.5750	0.000	1	107.5750	0.000	1	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	111.3152	2.703	4	111.3152	7.308	4	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	111.0250	0.279	2	111.0250	0.078	2	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6]N[6]C)(H)3	111.5610	3.602	2	111.5610	12.974	2	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	110.3915	0.723	2	110.3950	0.189	4	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	110.3985	0.209	2	110.3950	0.189	4	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.7342	1.127	24	108.7342	1.270	24	109.0962	4.491	53	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	P[6]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)2	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)2{2|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	109.1732	1.884	4	109.1732	3.550	4	109.1732	3.550	4	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]P[6]C)(H)3	109.4015	0.699	8	109.4015	0.488	8	109.4015	0.488	8	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	S[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	C(C[6]C[6]S[6]C)(H)3	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{1|O<1>,4|C<3>}	C(C[6]C[6]S[6]C)(H)3	113.2980	5.616	2	113.2980	31.538	2	113.2980	31.538	2	109.3348	3.895	432	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CHHO)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(OC[6a])(H)2	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.1114	3.378	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	106.3220	0.000	1	106.3220	0.000	1	106.3220	0.000	1	109.1114	3.378	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHHO)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]2C)(OH)(H)2	109.9320	1.690	2	109.9320	2.856	2	109.9320	2.856	2	109.1114	3.378	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]2)(OC)(H)2	107.9810	0.000	1	107.9810	0.000	1	109.1667	3.533	7	109.1114	3.378	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6a]C[6]2)(OC)(H)2	109.3643	1.978	6	109.3643	3.912	6	109.1667	3.533	7	109.1114	3.378	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CCO)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[5a,6]C[6]C)(CCO)(H)2	109.2820	0.856	2	109.2820	0.732	2	108.8844	1.179	5	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	107.1370	0.000	1	107.1370	0.000	1	108.8844	1.179	5	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(COO)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[5a,6]C[6]C)(COO)(H)2	109.3605	0.402	2	109.3605	0.162	2	108.8844	1.179	5	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(N[5a]C[5a,6a]2)(H)2	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(CCH)(H)2	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	106.1010	0.000	2	106.1010	0.000	2	109.7534	25.818	5	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]2)(NC[6a]S)(H)2	115.3190	0.000	2	115.3190	0.000	2	109.7534	25.818	5	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(NOO)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(NOO)(H)2	105.9270	0.000	1	105.9270	0.000	1	109.7534	25.818	5	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2{3|C<3>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	111.6360	0.000	1	111.6360	0.000	1	111.6360	0.000	1	109.8026	9.243	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:3:2:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O-2:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	107.6460	0.000	1	108.3485	0.987	2	109.7163	3.211	4	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	109.0510	0.000	1	108.3485	0.987	2	109.7163	3.211	4	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2{1|Pt<5>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CH3)(H)2	111.0840	1.079	2	111.0840	1.164	2	109.7163	3.211	4	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	106.2170	0.000	1	106.2170	0.000	1	109.9149	3.833	7	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	111.3670	0.000	1	110.5312	1.408	6	109.9149	3.833	7	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	108.9290	0.000	1	110.5312	1.408	6	109.9149	3.833	7	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	111.6245	0.595	2	110.5312	1.408	6	109.9149	3.833	7	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	109.8210	0.154	2	110.5312	1.408	6	109.9149	3.833	7	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	111.1075	1.850	2	111.1075	3.424	2	110.4385	3.399	6	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	110.1040	2.019	4	110.1040	4.076	4	110.4385	3.399	6	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(CH3){1|Mn<8>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|Mn<8>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	108.1750	0.000	1	108.1750	0.000	1	111.1650	3.137	5	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CH3)(H)2	112.1930	0.662	2	112.1930	0.438	2	111.1650	3.137	5	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CCHH)2{2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(CH3)(H)2	111.0750	0.000	1	111.0750	0.000	1	111.1650	3.137	5	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(CH3)(H)2	112.1890	0.000	1	112.1890	0.000	1	111.1650	3.137	5	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(CCHH)(H)2	108.4335	2.181	2	108.4335	4.759	2	109.1713	7.251	4	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	109.9090	3.849	2	109.9090	14.819	2	109.1713	7.251	4	110.1113	3.647	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHH)(OH)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCHH)(OH)(H)	104.8640	0.000	1	104.8640	0.000	1	109.1290	9.440	4	109.1290	9.440	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHHO)(OH)(H)	110.5507	1.426	3	110.5507	2.032	3	109.1290	9.440	4	109.1290	9.440	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	111.2745	1.537	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CCHH)(CH3)(H)	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	111.2745	1.537	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.2575	1.450	2	108.2575	2.103	2	109.3502	2.174	30	109.5964	2.197	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.8965	0.555	2	108.8965	0.308	2	109.3502	2.174	30	109.5964	2.197	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.9815	1.231	2	107.9815	1.516	2	109.3502	2.174	30	109.5964	2.197	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.5932	1.491	24	109.5932	2.224	24	109.3502	2.174	30	109.5964	2.197	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	109.3750	0.973	2	109.3750	0.947	2	109.3750	0.947	2	109.5964	2.197	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.9975	1.160	4	110.9975	1.346	4	110.9013	1.034	6	109.5964	2.197	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.7090	1.011	2	110.7090	1.022	2	110.9013	1.034	6	109.5964	2.197	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:2:1:	4:3:1:1:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5]C[6]2)(CCH)(H)2	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	C(C[6]C[5]C[6]2)(CCH)(H)2	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.7510	0.383	2	111.7510	0.147	2	111.7510	0.147	2	111.9819	0.774	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	111.9819	0.774	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0300	0.000	1	112.0300	0.000	1	112.1470	0.011	3	111.9819	0.774	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	112.2055	0.045	2	112.2055	0.002	2	112.1470	0.011	3	111.9819	0.774	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	111.9819	0.774	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6]O)(CC[6a]O)(H){3|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	112.8800	0.987	2	112.8800	0.974	2	112.8800	0.974	2	111.9819	0.774	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	108.3955	1.868	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.6940	0.000	1	109.6940	0.000	1	108.0427	2.055	3	108.3955	1.868	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	107.2170	0.141	2	107.2170	0.020	2	108.0427	2.055	3	108.3955	1.868	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:3:2:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CH3)2{3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	110.7760	1.963	2	110.7760	3.853	2	110.7760	3.853	2	110.7760	3.853	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C(C[6]C[5a]C[6]2)(H)3	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[5a]C[6]2)(H)3	113.1550	0.000	1	113.0610	0.018	2	113.0610	0.018	2	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C(C[6]C[5a]C[6]2)(H)3	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[5a]C[6]2)(H)3	112.9670	0.000	1	113.0610	0.018	2	113.0610	0.018	2	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	112.0880	0.000	1	111.2620	1.365	2	110.4573	1.708	4	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4360	0.000	1	111.2620	1.365	2	110.4573	1.708	4	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.6525	1.081	2	109.6525	1.169	2	110.4573	1.708	4	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	107.6495	2.690	8	107.6495	7.235	8	107.6495	7.235	8	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.8900	0.000	2	111.8900	0.000	2	111.4213	1.425	6	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.3700	0.000	2	111.3700	0.000	2	111.4213	1.425	6	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.0040	2.516	2	111.0040	6.330	2	111.4213	1.425	6	109.8838	7.291	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	114.4700	0.000	1	114.4700	0.000	1	114.4700	0.000	1	114.4700	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:3:1:1:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[5]C[6]2)(CCH)(H)2	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5]C[6]2)(CCH)(H)2	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	109.4860	0.625	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	109.4860	0.625	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	110.0960	0.000	1	110.0960	0.000	1	108.8610	3.050	2	109.6060	3.548	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	107.6260	0.000	1	107.6260	0.000	1	108.8610	3.050	2	109.6060	3.548	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	108.1740	0.000	2	108.1740	0.000	2	109.9785	4.342	4	109.6060	3.548	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	111.7830	0.000	2	111.7830	0.000	2	109.9785	4.342	4	109.6060	3.548	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	110.7620	0.846	2	110.7620	0.715	2	110.7620	0.715	2	110.5511	0.900	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	110.4984	1.019	8	110.4984	1.039	8	110.4984	1.039	8	110.5511	0.900	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	112.0980	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	3:4:4:4:	4:4:4:4:	4:4:2:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C[3]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:3:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3)	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2	C(C[6]C[6]N[6]O[6])(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]N[6]O[6]C)(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]O[6])(H)3	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.8055	0.067	2	113.8055	0.005	2	113.8055	0.005	2	113.8055	0.005	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:Se-2:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(SeC[6a])(H)2	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CSeHH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(SeC[6a])(H)2	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	112.9745	1.807	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	112.9745	1.807	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	112.5493	1.423	3	112.5493	2.025	3	112.5493	2.025	3	112.5493	2.025	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:3:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(CH3)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH){2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.1745	0.889	2	114.1745	0.790	2	114.1745	0.790	2	114.1745	0.790	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:3:4:2:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(CCHH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5a,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.2727	0.927	3	113.2727	0.860	3	113.2727	0.860	3	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.4070	0.000	1	114.4070	0.000	1	114.4070	0.000	1	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.3960	0.000	1	113.5747	0.637	3	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{4|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.1640	0.512	2	113.5747	0.637	3	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	112.5540	0.000	1	113.7826	0.488	19	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.3960	0.342	2	113.7826	0.488	19	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.7850	0.074	2	113.7826	0.488	19	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.7083	0.628	10	113.7826	0.488	19	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.8350	0.000	1	113.7826	0.488	19	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{4|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.6945	0.306	2	113.7826	0.488	19	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.6460	0.000	1	113.7826	0.488	19	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HH)(O[6]S[6])(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.8860	0.000	1	113.8860	0.000	1	113.7600	0.463	23	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[5,6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.2100	0.000	1	113.2100	0.000	1	113.4250	0.092	2	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.6400	0.000	1	113.6400	0.000	1	113.4250	0.092	2	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	O[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]O[6,6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H)	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]C[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2{2|C<4>}	C(C[6]C[6]S[6]H)(H)3	111.7055	1.237	2	111.7055	1.530	2	111.7055	1.530	2	113.4917	0.821	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	113.2763	6.098	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	115.0870	0.000	1	115.0870	0.000	1	115.0870	0.000	1	113.2763	6.098	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.1865	0.414	2	114.1865	0.171	2	114.1865	0.171	2	113.2763	6.098	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	113.6850	0.000	1	113.6850	0.000	1	113.6850	0.000	1	113.5755	1.029	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	112.3200	0.000	1	112.3200	0.000	1	113.0930	1.195	2	113.5755	1.029	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHO)(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	113.8660	0.000	1	113.8660	0.000	1	113.0930	1.195	2	113.5755	1.029	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)2(H)2	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CC[6]HH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)2(H)2	113.9316	0.708	9	113.9316	0.502	9	113.9316	0.502	9	113.5755	1.029	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H)	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2{3|C<3>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	111.2270	0.000	1	111.2270	0.000	1	111.2270	0.000	1	113.5755	1.029	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H)	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2{2|C<4>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	115.1970	0.000	1	115.1970	0.000	1	115.1970	0.000	1	115.1970	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:3:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	115.0905	1.004	4	115.0905	1.008	4	115.0905	1.008	4	115.0905	1.008	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	113.2070	10.154	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2{2|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	115.0400	0.386	2	115.0400	0.149	2	115.0400	0.149	2	113.2070	10.154	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{3|C<4>}	C(C[6]C[6]O[6]H)(CH3)3	114.6400	0.000	1	114.6400	0.000	1	114.6400	0.000	1	113.5540	2.359	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)3	C[6](C[6]N[5,6]HH)(O[6]B[6])(CC3)(H){2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(CH3)3	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	113.5540	2.359	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.4590	0.000	1	113.4590	0.000	1	113.4590	0.000	1	114.6328	0.421	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.6800	0.000	1	114.6800	0.000	1	114.7632	0.283	9	114.6328	0.421	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	115.1360	0.000	1	115.1995	0.008	2	114.7632	0.283	9	114.6328	0.421	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	115.2630	0.000	1	115.1995	0.008	2	114.7632	0.283	9	114.6328	0.421	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.6317	0.594	6	114.6317	0.352	6	114.7632	0.283	9	114.6328	0.421	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCHH)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(H)	116.3150	0.000	1	116.3150	0.000	1	116.1056	1.982	5	116.1056	1.982	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	113.9520	0.000	1	113.9520	0.000	1	116.1056	1.982	5	116.1056	1.982	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(H)	117.2725	0.610	2	116.7537	0.994	3	116.1056	1.982	5	116.1056	1.982	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:2:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	C(C[6]C[6]O[6]H)(CH3)2(H)	115.7160	0.000	1	116.7537	0.994	3	116.1056	1.982	5	116.1056	1.982	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:3:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[5a,6]CH)(O[6]C[6])(CCHO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	114.0570	0.653	2	114.0570	0.427	2	114.0570	0.427	2	114.0570	0.427	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6]H)(C[6]O[6]CH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.9530	0.922	2	113.9530	0.850	2	113.9530	0.850	2	113.7780	1.122	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	112.1640	0.000	1	112.1640	0.000	1	113.6613	1.767	3	113.7780	1.122	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.4100	0.414	2	114.4100	0.172	2	113.6613	1.767	3	113.7780	1.122	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	3:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H)	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	118.4540	0.000	2	118.4540	0.000	2	118.4540	0.000	2	118.4540	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]S[6]HH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(N[6]C[6])(H)2	C(C[6]C[6]O[6]H)(NN)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<3>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6])(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(NN)(H)2	114.3893	0.787	3	114.3893	0.620	3	114.3893	0.620	3	113.2527	3.010	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(S[6]C[6])(H)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]O[6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.3545	2.186	4	112.3545	4.777	4	112.3545	4.777	4	113.2527	3.010	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:1:1:	4:2:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C(C[6]C[6]S[6]H)(OC)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(OC)(H)2	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	113.2527	3.010	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:1:1:	4:2:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C(C[6]C[6]S[6]H)(SC[6a])(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CHHS)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(SC[6a])(H)2	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	113.2527	3.010	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]O[6]HH)(O[6]N[6])(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	116.6130	0.000	1	116.6130	0.000	1	116.6130	0.000	1	116.6130	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:1:1:	4:4:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	C(C[6]C[6]S[6]H)(CH3)(H)2	C[6](C[6]S[6]HH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(CH3)(H)2	111.4706	2.539	8	111.4706	6.446	8	111.4706	6.446	8	111.4706	6.446	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:3:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.2910	0.000	1	114.2910	0.000	1	114.2910	0.000	1	114.2910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CH3)(H){1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	112.9620	2.313	175	112.9620	5.352	175	112.9706	4.869	199	112.9706	4.869	199	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[6])(CH3)(H){1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	113.0333	1.193	24	113.0333	1.424	24	112.9706	4.869	199	112.9706	4.869	199	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:4:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(OH)(H)2	115.2705	0.138	2	115.2705	0.019	2	115.2705	0.019	2	114.9877	2.805	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:4:1:	4:2:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H)	C(C[6]C[6]S[6]H)(OH)(H)2	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CHHO)(H){1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(OH)(H)2	114.8462	2.142	4	114.8462	4.589	4	114.8462	4.589	4	114.9877	2.805	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:4:1:	4:4:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H)	C(C[6]C[6]S[6]H)(CH3)(H)2	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	C[6](C[6]S[6]CH)(S[6]C[5,6])(CCHH)(H){1|C<3>,1|S<2>}	C(C[6]C[6]S[6]H)(CH3)(H)2	113.2466	2.082	5	113.2466	4.337	5	113.2466	4.337	5	113.2466	4.337	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:2:4:4:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H){3|C<4>}	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	111.8395	0.572	2	111.8395	0.327	2	111.8395	0.327	2	111.8395	0.327	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.9020	0.000	1	113.9020	0.000	1	114.0222	0.078	5	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.8540	0.194	2	113.8540	0.038	2	114.0222	0.078	5	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(H)3	114.4740	0.000	1	114.4740	0.000	1	114.0222	0.078	5	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.0270	0.000	1	114.0270	0.000	1	114.0222	0.078	5	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6,6])(CClHH)(H){1|S<4>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(Cl)(H)2	110.6110	0.000	1	110.6110	0.000	1	112.0795	4.015	4	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(Cl)(H)2	113.5920	0.000	1	112.5690	4.585	3	112.0795	4.015	4	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(Cl)(H)2	114.0070	0.000	1	112.5690	4.585	3	112.0795	4.015	4	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CClHH)(H){1|S<4>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(Cl)(H)2	110.1080	0.000	1	112.5690	4.585	3	112.0795	4.015	4	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.9510	0.000	1	112.2360	0.429	3	112.1506	0.315	7	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	111.8785	0.303	2	112.2360	0.429	3	112.1506	0.315	7	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.6680	0.000	1	112.6680	0.000	1	112.1506	0.315	7	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	111.8927	0.522	3	111.8927	0.272	3	112.1506	0.315	7	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|N<3>,2|O<1>}	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]S[6]H)(H)3	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	112.6935	1.675	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]O[6]H)(CN)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){4|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CN)(H)2	114.0115	0.107	2	114.0115	0.011	2	114.0115	0.011	2	115.0904	17.477	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(NN)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|S<4>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(NN)(H)2	122.3170	0.000	1	122.3170	0.000	1	122.3170	0.000	1	115.0904	17.477	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.6740	0.000	1	113.6740	0.000	1	112.5560	2.500	2	115.0904	17.477	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.4380	0.000	1	111.4380	0.000	1	112.5560	2.500	2	115.0904	17.477	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6]O)(H)2	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	111.3785	4.127	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]H)(NCH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(NCH)(H)2	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	111.3785	4.127	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:F-1:F-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.1210	0.000	1	114.1210	0.000	1	113.2567	0.412	7	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	112.9780	0.000	1	112.9780	0.000	1	113.2567	0.412	7	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(CH3)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CH3)(H)2	113.1620	0.000	1	113.1620	0.000	1	113.2567	0.412	7	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]O[6]H)(CCCH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2{3|C<4>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	112.7760	0.000	1	112.7760	0.000	1	113.2567	0.412	7	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	113.6350	0.731	2	113.2533	0.704	3	113.2567	0.412	7	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	112.4900	0.000	1	113.2533	0.704	3	113.2567	0.412	7	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]H)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)2(H)2	113.1970	0.000	1	113.1970	0.000	1	113.1970	0.000	1	113.3728	0.447	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	115.7200	0.000	1	115.7200	0.000	1	114.9390	0.501	5	114.9390	0.501	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	114.2960	0.537	2	114.2960	0.289	2	114.9390	0.501	5	114.9390	0.501	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	114.9160	0.000	1	114.9160	0.000	1	114.9390	0.501	5	114.9390	0.501	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	115.4670	0.000	1	115.4670	0.000	1	114.9390	0.501	5	114.9390	0.501	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	115.8340	0.000	1	115.8340	0.000	1	116.0135	0.064	2	116.0135	0.064	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	116.1930	0.000	1	116.1930	0.000	1	116.0135	0.064	2	116.0135	0.064	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	117.5580	0.000	1	117.5580	0.000	1	117.5580	0.000	1	117.5580	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:1:1:	4:4:4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	117.0450	0.211	2	117.0450	0.044	2	117.0450	0.044	2	117.0450	0.044	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.6340	0.000	1	112.6340	0.000	1	112.9085	0.151	2	112.9085	0.151	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.1830	0.000	1	113.1830	0.000	1	112.9085	0.151	2	112.9085	0.151	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	110.9330	0.000	1	110.9330	0.000	1	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	110.8130	0.000	1	112.5168	3.416	5	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	110.8570	0.000	1	112.5168	3.416	5	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.1750	0.000	1	112.5168	3.416	5	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.3695	1.012	2	112.5168	3.416	5	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.6010	0.000	2	112.6010	0.000	2	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.2540	0.000	1	112.2540	0.000	1	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.4560	0.000	1	113.4560	0.000	1	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.3150	0.000	1	113.3150	0.000	1	112.5222	1.777	11	112.5222	1.777	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:3:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	111.2395	0.459	2	111.2395	0.211	2	111.2395	0.211	2	111.2395	0.211	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	C(C[6]C[6]O[6]H)(H)3	114.5970	0.000	1	114.5970	0.000	1	114.5970	0.000	1	113.9285	0.894	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6]O[6]H)(H)3	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	113.9285	0.894	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(CCO)(H)2	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	113.7487	1.065	3	113.7487	1.134	3	115.0343	13.195	10	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	123.1360	0.000	1	120.0230	19.382	2	115.0343	13.195	10	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	116.9100	0.000	1	120.0230	19.382	2	115.0343	13.195	10	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	114.6640	0.758	2	114.6640	0.575	2	115.0343	13.195	10	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	113.3180	0.000	1	113.2410	15.937	3	115.0343	13.195	10	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	113.2025	5.645	2	113.2410	15.937	3	115.0343	13.195	10	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	113.2340	0.000	1	112.9850	0.124	2	112.9850	0.124	2	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCHH)(H){1|H<1>,1|P<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	112.7360	0.000	1	112.9850	0.124	2	112.9850	0.124	2	114.6928	11.443	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	115.5107	1.384	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)2(CH3)(H)	116.1825	0.244	2	116.1825	0.060	2	116.1825	0.060	2	115.5107	1.384	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:3:4:4:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	114.8950	0.093	2	114.8950	0.009	2	114.8950	0.009	2	114.8950	0.009	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H){3|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.2140	1.557	2	113.2140	2.424	2	113.2140	2.424	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[3x6]HI)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	C(C[6]C[6]O[6]H)(H)3	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){2|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.5520	0.434	6	112.5520	0.188	6	112.4863	0.187	7	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6,6]N[5]S[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	112.0920	0.000	1	112.0920	0.000	1	112.4863	0.187	7	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(Cl)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(Cl)3	113.2030	0.525	2	113.2030	0.275	2	113.0347	0.223	3	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(Cl)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCl3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]H)(Cl)3	112.6980	0.000	1	112.6980	0.000	1	113.0347	0.223	3	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.3360	0.000	1	112.3360	0.000	1	114.2147	1.883	4	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	115.1965	0.431	2	114.8410	0.472	3	114.2147	1.883	4	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.1300	0.000	1	114.8410	0.472	3	114.2147	1.883	4	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(Br)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]O[6]H)(Br)(H)2	116.0030	0.000	1	116.0030	0.000	1	113.9195	8.682	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(Br)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CBrHH)(H){1|B<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(Br)(H)2	111.8360	0.000	1	111.8360	0.000	1	113.9195	8.682	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(Cl)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CClHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(Cl)(H)2	111.8985	1.541	4	111.8985	2.376	4	111.8985	2.376	4	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.1520	0.000	1	113.1325	2.079	2	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.1130	0.000	1	113.1325	2.079	2	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.7960	0.000	1	113.4980	0.255	8	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	112.4500	0.000	1	113.4980	0.255	8	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.6250	0.000	1	113.4980	0.255	8	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.1890	0.000	1	113.4980	0.255	8	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.6233	0.252	3	113.4980	0.255	8	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[5,6])(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.0540	0.000	1	113.4980	0.255	8	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.4695	0.497	2	113.3063	0.279	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	112.6510	0.000	1	113.3063	0.279	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.6350	0.000	1	113.3063	0.279	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.9730	0.000	1	113.9730	0.000	1	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	112.9265	0.159	2	113.3245	0.265	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.4630	0.000	1	113.3245	0.265	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.9820	0.000	1	113.3245	0.265	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	114.8210	0.000	1	113.6209	0.412	17	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(H)3	113.3810	0.000	1	113.6209	0.412	17	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.9523	0.605	3	113.6209	0.412	17	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.2050	0.000	1	113.6209	0.412	17	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.2550	0.585	2	113.6209	0.412	17	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.4201	0.583	9	113.6209	0.412	17	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.0992	0.523	4	113.0992	0.274	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.4560	1.076	3	113.4560	1.159	3	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.6546	0.592	5	113.6546	0.350	5	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(H)3	114.5855	1.446	2	113.8979	0.708	19	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<3>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|Re<6>,1|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.2360	0.000	1	113.8979	0.708	19	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.9814	0.802	12	113.8979	0.708	19	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.4690	0.678	4	113.8979	0.708	19	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C(C[6]C[6]O[6]H)(H)3	113.3060	0.144	2	113.6570	0.906	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<1>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C(C[6]C[6]O[6]H)(H)3	114.0080	1.485	2	113.6570	0.906	4	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]S[6])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	C(C[6]C[6]O[6]H)(H)3	112.9600	0.000	1	112.9600	0.000	1	113.5970	0.515	72	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)2(I)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(H)2(I)	115.5550	0.000	1	115.5550	0.000	1	115.8255	0.146	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H)	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)2(I)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(H)2(I)	116.0960	0.000	1	116.0960	0.000	1	115.8255	0.146	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HI)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	C(C[6]C[6]O[6]H)(H)2(I)	C[6](C[6]C[6]HI)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(H)2(I)	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:H-1:O-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	C(C[6]C[6]O[6]H)(H)2(O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)2(O)	113.0030	0.000	1	113.0030	0.000	1	113.0030	0.000	1	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	111.7025	0.272	2	111.7025	0.074	2	111.7025	0.074	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|Al<5>,1|H<1>,3|C<4>}	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	110.7502	0.112	4	110.7502	0.013	4	110.7502	0.013	4	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(O){1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(F)3	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-1:	N[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O)	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O){1|C<3>,1|H<1>,3|C<4>}	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	C(C[6]C[6]O[6]O)(H)3	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H)	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(F)3	C[6](C[6]C[6]HH)(S[6]C[6])(CF3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2{3|C<3>}	C(C[6]C[6]S[6]H)(F)3	110.6880	0.453	2	110.6880	0.205	2	110.6880	0.205	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]S[6]H)(H)3	113.3480	0.000	1	113.3480	0.000	1	112.4877	0.681	3	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H)	C[6](C[6]S[6]CH)2(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]S[6]CH)2(H)2{1|C<3>,1|O<1>}	C(C[6]C[6]S[6]H)(H)3	112.0575	0.501	2	112.0575	0.251	2	112.4877	0.681	3	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	C[6](C[6]Se[6]CH)2(H)2	C(C[6]Se[6]C[6]H)(H)3	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Se[6]CH)2(H)2{1|C<4>}	C(C[6]Se[6]C[6]H)(H)3	112.0180	0.513	2	112.0180	0.264	2	112.0180	0.264	2	113.2743	1.453	115	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|S<2>}	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.2980	2.270	3	112.2980	5.154	3	112.2980	5.154	3	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]BrH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Br)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.0265	1.199	4	113.0265	1.437	4	113.3938	1.392	6	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.1285	1.013	2	114.1285	1.027	2	113.3938	1.392	6	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.0935	0.551	2	112.5780	0.949	3	112.4201	0.440	9	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,2|F<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.5470	0.000	1	112.5780	0.949	3	112.4201	0.440	9	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.5068	0.415	5	112.5068	0.172	5	112.4201	0.440	9	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	111.5130	0.000	1	111.5130	0.000	1	112.4201	0.440	9	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.7122	0.845	4	112.6896	0.538	5	112.8415	0.569	6	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.5990	0.000	1	112.6896	0.538	5	112.8415	0.569	6	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.6010	0.000	1	113.6010	0.000	1	112.8415	0.569	6	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.4710	0.000	1	112.4710	0.000	1	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.7850	0.000	1	114.7850	0.000	1	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.0627	0.913	3	113.0627	0.833	3	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	114.0810	0.000	1	114.0810	0.000	1	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OSi)(H)2	114.5730	0.000	1	114.5730	0.000	1	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.8290	0.000	1	113.8290	0.000	1	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.2010	0.020	2	113.2010	0.000	2	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.6444	2.833	16	113.6444	8.026	16	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.2230	0.000	1	114.2230	0.000	1	113.6245	4.906	27	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(SMo)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(SMo)(H)2	112.0640	0.000	1	112.0640	0.000	1	112.4475	0.294	2	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(SW)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(SW)(H)2	112.8310	0.000	1	112.8310	0.000	1	112.4475	0.294	2	113.2492	3.357	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	112.1490	0.000	1	112.1490	0.000	1	112.1490	0.000	1	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	111.0030	1.377	2	111.0030	1.897	2	111.0030	1.897	2	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:Br-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5a]O)(Br)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CBrCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[5a]O)(Br)(H)	114.7185	0.258	2	114.7185	0.067	2	114.7185	0.067	2	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(CCO)(H)2	112.2140	0.000	1	112.2140	0.000	1	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(COO)(H)2	112.5897	1.743	3	112.5897	3.039	3	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(COS)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(COS)(H)2	111.6930	0.000	1	111.6930	0.000	1	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	112.7300	0.000	1	112.7300	0.000	1	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	115.8850	0.000	1	114.3052	1.018	6	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	114.3417	0.552	3	114.3052	1.018	6	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	113.4605	0.745	2	114.3052	1.018	6	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	111.4450	0.000	1	111.6070	0.052	2	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	111.7690	0.000	1	111.6070	0.052	2	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCH)(H)2	110.6720	0.000	1	110.6720	0.000	1	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<2>,3|C<3>}	C(C[6]C[6]O[6]H)(CCO)(H)2	112.5280	0.000	1	112.5280	0.000	1	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	112.7295	1.836	2	112.7295	3.372	2	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]O)(H)2	112.3050	0.000	1	112.3050	0.000	1	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	114.4530	0.000	1	113.4137	0.828	3	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	112.8940	0.191	2	113.4137	0.828	3	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(CCC)(H)2	C[6](C[6]C[6]HH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	C(C[6]C[6]O[6]H)(CCC)(H)2	113.8252	1.021	4	113.8252	1.041	4	113.0753	1.830	26	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	111.3070	0.000	1	111.3070	0.000	1	112.2330	1.715	2	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CN[5]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	113.1590	0.000	1	113.1590	0.000	1	112.2330	1.715	2	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H)	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2	C(C[6]C[6]O[6]H)(NCC)(H)2	C[6](C[6]S[6]HH)(O[6]C[6])(CHHN)(H){1|C<4>,3|O<1>}	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(NCC)(H)2	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(NCH)(H)2	C[6](C[6]N[5,6]HH)(O[6]C[6])(CHHN)(H){2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(NCH)(H)2	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(S[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(CC[6a]O)(H)2	113.9495	0.301	2	113.9495	0.090	2	113.9495	0.090	2	112.8966	2.142	38	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(COO)(NCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(COO)(NCH)(H)	115.6020	0.000	1	115.6020	0.000	1	115.6020	0.000	1	115.6020	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	112.5750	0.351	2	112.5750	0.123	2	112.5750	0.123	2	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	116.3520	0.361	2	116.3520	0.130	2	116.3520	0.130	2	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]HI)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	115.2065	1.066	2	115.2065	1.136	2	115.2065	1.136	2	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	113.6630	0.000	1	113.6630	0.000	1	113.5113	1.235	3	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	113.4355	1.561	2	113.4355	2.435	2	113.5113	1.235	3	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C[6](C[6]C[6]BrH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	117.8980	0.000	1	117.8980	0.000	1	117.8980	0.000	1	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHO)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	114.8590	0.000	1	114.8590	0.000	1	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CHHS)(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHS)(H)2	112.7750	0.000	1	112.7750	0.000	1	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	112.9090	0.000	1	112.9090	0.000	1	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2{2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	112.3980	0.884	2	112.3980	0.781	2	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCCH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	113.5600	0.000	1	113.5600	0.000	1	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	113.5420	0.000	1	113.5420	0.000	1	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	115.9845	0.424	2	115.9845	0.179	2	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	113.1800	0.000	1	113.1800	0.000	1	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	112.9880	1.043	3	112.9880	1.088	3	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	113.8107	0.671	3	113.8107	0.451	3	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	111.8770	0.000	2	111.8770	0.000	2	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	111.3755	1.453	2	111.3755	2.112	2	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	114.2162	0.653	6	114.2162	0.427	6	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	114.4760	0.444	2	114.4760	0.197	2	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	110.9670	0.608	2	110.9670	0.370	2	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]N[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	112.6740	0.000	1	112.6740	0.000	1	113.3338	1.982	31	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:I-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHI)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)2(H)2	C[6](C[6]C[6]HH)(O[6]C[5,6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)2(H)2	114.0420	0.412	2	114.0420	0.169	2	113.1707	1.514	16	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]O[6]H)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	C(C[6]C[6]O[6]H)2(H)2	114.0620	0.000	1	114.0620	0.000	1	113.1707	1.514	16	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)2(H)2	112.0840	0.000	1	113.3470	0.808	11	113.1707	1.514	16	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)2(H)2	113.7005	0.778	8	113.3470	0.808	11	113.1707	1.514	16	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)2(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)2(H)2	112.5645	0.124	2	113.3470	0.808	11	113.1707	1.514	16	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	110.8840	1.164	2	110.8840	1.355	2	113.1707	1.514	16	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	116.9250	0.832	2	116.9250	0.691	2	116.9250	0.691	2	113.6650	2.723	61	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHO)(H){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	114.2076	3.081	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	116.1080	0.000	1	115.0855	2.091	2	114.9183	0.741	4	114.2076	3.081	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	114.0630	0.000	1	115.0855	2.091	2	114.9183	0.741	4	114.2076	3.081	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	114.6490	0.000	1	114.6490	0.000	1	114.9183	0.741	4	114.2076	3.081	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	114.8530	0.000	1	114.8530	0.000	1	114.9183	0.741	4	114.2076	3.081	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	116.6730	0.000	1	116.6730	0.000	1	114.4560	3.657	4	114.4560	2.743	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	113.3880	0.000	1	113.3880	0.000	1	114.4560	3.657	4	114.4560	2.743	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	112.4230	0.000	1	112.4230	0.000	1	114.4560	3.657	4	114.4560	2.743	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]S[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	115.3400	0.000	1	115.3400	0.000	1	114.4560	3.657	4	114.4560	2.743	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	C[6](C[6]C[6]HH)(O[6]S[6])(CCHN)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|S<3>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	114.4560	0.000	1	114.4560	0.000	1	114.4560	0.000	1	114.4560	2.743	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:3:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	116.5862	2.296	4	116.5862	5.273	4	116.5862	5.273	4	116.5862	5.273	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	116.7343	1.189	3	116.7343	1.413	3	116.7343	1.413	3	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	117.0230	0.337	2	117.0230	0.113	2	115.7746	1.588	8	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	116.5000	0.000	1	116.5000	0.000	1	115.7746	1.588	8	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	115.0910	0.000	1	115.0645	1.732	4	115.7746	1.588	8	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	115.0557	1.612	3	115.0645	1.732	4	115.7746	1.588	8	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	C(C[6]C[6]O[6]H)(CH3)2(H)	115.3930	0.000	1	115.3930	0.000	1	115.7746	1.588	8	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHN)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	112.4170	0.000	1	112.4170	0.000	1	112.8575	0.388	2	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	113.2980	0.000	1	113.2980	0.000	1	112.8575	0.388	2	115.4125	2.827	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCCO)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	115.7624	1.011	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{3|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	115.9606	0.883	7	115.9606	0.780	7	115.9488	0.568	13	115.7624	1.011	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCCO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	115.4860	0.065	2	115.4860	0.004	2	115.9488	0.568	13	115.7624	1.011	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	115.5740	0.000	1	115.8720	0.178	2	115.9488	0.568	13	115.7624	1.011	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	116.1700	0.000	1	115.8720	0.178	2	115.9488	0.568	13	115.7624	1.011	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	117.1590	0.000	1	117.1590	0.000	1	115.9488	0.568	13	115.7624	1.011	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)2(OO)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCO)(H){3|C<4>}	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]H)(CH3)2(OO)	115.7350	0.000	1	115.7350	0.000	1	115.9488	0.568	13	115.7624	1.011	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(CH3)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CH3)3	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	116.1910	3.939	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(CH3)3	C[6](C[6]C[6]HH)(O[6]S[6])(CC3)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	C(C[6]C[6]O[6]H)(CH3)3	117.3180	0.508	2	117.3180	0.258	2	117.3180	0.258	2	116.1910	3.939	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.3370	0.205	2	113.3370	0.042	2	113.2537	0.903	4	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5,6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.1705	1.624	2	113.1705	2.638	2	113.2537	0.903	4	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)2(I)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)2(I)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.7780	0.000	1	112.7780	0.000	1	113.0040	0.102	2	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.2300	0.000	1	113.2300	0.000	1	113.0040	0.102	2	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.2484	0.475	7	113.2484	0.226	7	113.2484	0.226	7	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]HO)(O[6]C[6])(CF3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(F)3	112.3755	0.060	2	112.3755	0.004	2	112.3755	0.004	2	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:F-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(F)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CFHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(F)(H)2	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.4020	0.088	2	113.4020	0.008	2	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	112.3460	0.000	1	112.3460	0.000	1	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6]H)(H)3	112.9100	0.000	1	113.3583	0.173	3	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.5825	0.210	2	113.3583	0.173	3	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.6580	0.000	1	113.6580	0.000	1	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.7663	0.342	3	112.7663	0.117	3	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.3070	0.000	1	113.3070	0.000	1	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.6850	0.000	1	113.6850	0.000	1	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.5247	0.924	3	113.7028	0.611	5	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	114.4700	0.000	1	113.7028	0.611	5	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.4700	0.000	1	113.7028	0.611	5	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	112.3690	0.000	1	112.3690	0.000	1	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	110.9310	0.000	1	112.6945	1.551	4	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.1070	0.000	1	112.6945	1.551	4	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.3700	0.679	2	112.6945	1.551	4	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	115.1310	0.058	2	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	112.8360	0.231	2	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.0653	0.921	7	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.6107	0.595	3	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(H)3	113.8195	0.228	2	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(H)3	113.1740	0.000	1	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.3659	0.946	14	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.7135	0.873	2	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.3400	0.116	2	113.4933	0.866	35	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)3	112.6425	0.230	2	113.0272	0.644	28	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	113.0501	0.841	25	113.0272	0.644	28	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.2240	0.000	1	113.0272	0.644	28	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)3	114.2510	0.000	1	114.2510	0.000	1	113.2687	0.752	86	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)2(I)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(H)2(I)	109.4170	0.000	1	110.2695	1.454	2	110.2695	1.454	2	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)2(I)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHI)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)2(I)	111.1220	0.000	1	110.2695	1.454	2	110.2695	1.454	2	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(H)2(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(H)2(O)	113.1930	1.542	12	113.1930	2.377	12	113.3272	2.413	13	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(H)2(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(H)2(O)	114.9370	0.000	1	114.9370	0.000	1	113.3272	2.413	13	113.1741	1.077	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(SC[6a])(H)2	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(SC[6a])(H)2	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[3,6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.6503	0.156	3	112.6503	0.024	3	112.6503	0.024	3	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.5320	0.000	1	113.5320	0.000	1	114.8270	3.354	2	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	116.1220	0.000	1	116.1220	0.000	1	114.8270	3.354	2	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.4250	0.000	1	114.4250	0.000	1	112.7807	1.778	7	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.0690	1.063	3	112.0690	1.129	3	112.7807	1.778	7	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.3050	0.000	1	111.3050	0.000	1	112.7807	1.778	7	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.7640	0.277	2	113.7640	0.077	2	112.7807	1.778	7	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OSi)(H)2	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(NN)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(NN)(H)2	112.1220	0.000	1	112.1220	0.000	1	113.3454	0.744	5	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C(C[6]C[6]O[6]H)(NC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(NC)(H)2	113.6513	0.607	4	113.6513	0.368	4	113.3454	0.744	5	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[4,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.3915	0.022	2	113.3915	0.000	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.7450	0.000	1	113.4257	1.171	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.3080	0.000	1	113.4257	1.171	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.0230	0.000	1	113.4257	1.171	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.6270	0.000	1	113.4257	1.171	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC[5])(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC[5])(H)2	113.9210	0.000	1	113.9210	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	111.5910	0.000	3	111.7235	0.070	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[5,6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.1210	0.000	1	111.7235	0.070	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.2790	0.000	1	114.2790	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.7600	0.000	1	112.9531	0.865	7	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.0510	0.000	1	112.9531	0.865	7	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.5310	0.000	1	112.9531	0.865	7	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.3325	0.826	4	112.9531	0.865	7	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.6342	1.680	5	112.5624	1.882	11	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	110.3430	0.000	1	112.5624	1.882	11	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.0680	0.024	2	112.5624	1.882	11	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.8453	0.957	3	112.5624	1.882	11	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	114.9040	1.237	2	114.9040	1.531	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.9720	0.000	1	113.9720	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	111.9100	0.000	1	111.9100	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.2350	0.000	1	113.2350	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.2880	0.000	1	114.2880	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.2408	0.992	10	113.2408	0.983	10	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.4775	1.999	2	112.4775	3.996	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.5510	0.000	1	112.9275	0.284	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.3040	0.000	1	112.9275	0.284	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	110.9480	0.000	1	112.4015	4.225	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.8550	0.000	1	112.4015	4.225	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.4590	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.6580	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.3600	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.0160	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.5075	0.040	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.0120	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.9463	2.207	9	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.4526	1.371	21	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.2839	1.612	8	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.0770	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.2050	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.8990	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.8595	1.619	23	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.0050	0.687	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.9530	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.9760	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.1045	0.999	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.2860	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.8675	0.569	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.9489	1.583	11	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.5600	1.369	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.4629	1.704	50	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.7347	0.910	3	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.4090	0.000	1	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.0685	1.899	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.3560	0.636	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.3765	0.943	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.2689	1.442	9	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.5130	1.592	2	113.1238	2.576	164	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC[6])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC[6])(H)2	113.0450	0.000	1	113.0450	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.0615	0.890	6	113.8309	1.033	7	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.4470	0.000	1	113.8309	1.033	7	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OS)(H)2	112.1178	1.160	5	112.1178	1.347	5	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(OSi)(H)2	115.9850	0.000	1	113.7870	2.380	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OSi)(H)2	112.8515	0.672	2	113.7870	2.380	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OSi)(H)2	113.4600	0.000	1	113.7870	2.380	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	115.2780	0.000	1	113.6552	11.338	23	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.0210	0.000	1	113.6552	11.338	23	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.6081	3.510	21	113.6552	11.338	23	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(OC[6a])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC[6a])(H)2	110.2840	0.000	1	110.2840	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	115.3790	0.000	1	113.4911	1.930	60	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.1840	0.000	1	113.4911	1.930	60	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.4811	1.380	58	113.4911	1.930	60	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.6630	0.000	1	111.7593	0.731	19	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	109.8210	0.000	1	111.7593	0.731	19	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.8201	0.730	17	111.7593	0.731	19	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OC[6])(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC[6])(H)2	112.4670	1.150	4	112.4670	1.322	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	109.8490	0.000	1	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.6360	0.321	2	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.6890	1.084	9	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.9880	0.000	1	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.2410	0.000	1	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.5122	1.840	10	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.3160	2.277	2	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.4343	1.322	10	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.9010	0.778	2	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.8600	0.000	1	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.8675	1.601	136	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.8450	0.000	1	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OH)(H)2	114.4840	0.000	1	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OH)(H)2	113.5640	0.000	1	112.9674	2.466	178	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OS)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OS)(H)2	113.4810	0.000	1	113.4810	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	113.3440	0.115	2	113.3440	0.013	2	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	111.5745	1.213	2	112.0005	0.735	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.4265	0.098	2	112.0005	0.735	4	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H)	C[6](C[6]O[6]CH)2(OH)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.4080	0.000	1	112.4080	0.000	1	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.3600	0.000	1	113.0267	1.425	3	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]P[6])(CHHO)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.3600	0.427	2	113.0267	1.425	3	113.0596	2.673	529	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	C(C[6]C[6]O[6]H)(SC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(SC)(H)2	112.4450	0.762	2	112.4450	0.581	2	112.4450	0.581	2	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:S[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	C(C[6]C[6]S[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(S[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]S[6]H)(OH)(H)2	113.7305	2.290	2	113.7305	5.246	2	113.7305	5.246	2	113.0614	2.640	552	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[4,6]HO)(O[6]C[6])(CCHH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(COO)(H)2	111.2950	0.000	2	111.2950	0.000	2	111.2950	0.000	2	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	C[6](C[6]C[6,6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCH)(H)2	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:F-1:F-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(COO)(F)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCFF)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(COO)(F)2	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:F-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCH)(F)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCFH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCH)(F)(H)	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCH)(H)2	114.0220	0.000	1	114.0220	0.000	1	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCO)(H)2	112.2380	0.830	2	112.2380	0.689	2	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	110.4865	0.091	2	110.4865	0.008	2	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	113.5610	0.844	2	113.5610	0.713	2	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCH)(H)2	112.4320	0.000	1	112.4320	0.000	1	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCO)(H)2	111.9700	0.000	1	111.9700	0.000	1	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C(C[6]C[6]O[6]H)(CCH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCH)(H)2	113.5470	0.000	1	113.5470	0.000	1	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	112.1470	0.000	1	112.1470	0.000	1	112.4263	1.567	11	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(NCC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(NCC)(H)2	116.9950	0.000	1	116.9950	0.000	1	115.1747	6.881	3	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(NCH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(NCH)(H)2	116.3610	0.000	1	116.3610	0.000	1	115.1747	6.881	3	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(NCH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(NCH)(H)2	112.1680	0.000	1	112.1680	0.000	1	115.1747	6.881	3	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	113.5260	0.688	3	113.5260	0.473	3	113.1492	0.883	4	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	112.0190	0.000	1	112.0190	0.000	1	113.1492	0.883	4	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	110.7140	2.860	2	110.7140	8.177	2	110.7140	8.177	2	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Se-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(SeOO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CSeHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(SeOO)(H)2	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	112.7777	3.390	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:3:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[6]HO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	114.1700	0.000	1	114.1700	0.000	1	113.5480	3.674	8	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	115.4140	0.000	1	115.4140	0.000	1	113.5480	3.674	8	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CC3)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CC3)(H)2	110.8000	0.000	1	110.8000	0.000	1	113.5480	3.674	8	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCCH)(H)2	112.3657	1.045	3	112.3657	1.093	3	113.5480	3.674	8	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	116.0310	0.000	1	116.0310	0.000	1	113.5480	3.674	8	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	114.8720	0.000	1	114.8720	0.000	1	113.5480	3.674	8	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(SO3)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHS)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(SO3)(H)2	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a])(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	115.7230	0.000	1	115.7230	0.000	1	115.7230	0.000	1	113.5228	4.037	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H)	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5]C[5]N[5]H)(C[6]O[6]CH)(O[6]C[6])(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	114.3837	0.888	3	114.3837	0.788	3	114.3837	0.788	3	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	116.2920	0.000	1	116.2920	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	115.1750	0.000	1	115.1750	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	113.2000	0.000	1	113.2000	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	114.0750	0.000	1	114.0750	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	113.0440	0.000	1	113.0440	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)2(OH)(H)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	113.3900	0.000	1	113.3900	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)2(OSi)(H)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(OSi)(H){1|C<3>}	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	117.3100	0.000	1	117.3100	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)2(OSi)(H)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(OSi)(H){1|C<3>}	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	113.4830	0.000	1	113.4830	0.000	1	114.4961	2.546	8	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]O[6]H)(O[6]C[6])(CCHO)(H){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]CH)(O[6]C[6])(H){1|H<1>,2|O<2>,4|C<4>}	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	114.4933	1.775	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-4:C-3:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CCHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	113.8070	1.488	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	113.8070	1.488	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	113.8070	1.488	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCCH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(H)	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	116.2943	5.148	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	118.8960	0.000	1	118.8960	0.000	1	116.8110	8.694	2	116.2943	5.148	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	114.7260	0.000	1	114.7260	0.000	1	116.8110	8.694	2	116.2943	5.148	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CH3)2(OH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(OH)	115.2570	0.387	2	115.2570	0.150	2	115.2570	0.150	2	115.2570	0.150	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:2:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[5,6]CC)(O[6]C[5,6])(CH3)(H){1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.5610	0.000	1	114.5610	0.000	1	114.5010	0.475	3	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.7840	0.000	1	113.7840	0.000	1	114.5010	0.475	3	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CH)(COO)(H){1|C<3>}	C(C[6]C[6]O[6]H)(H)3	115.1580	0.000	1	115.1580	0.000	1	114.5010	0.475	3	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:Br-1:Br-1:Br-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	C(C[6]C[6]O[6]H)(Br)3	C[6](C[6]C[6]HN)(O[6]C[6])(CBr3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(Br)3	117.2160	0.000	1	117.2160	0.000	1	117.2160	0.000	1	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	116.8630	0.000	1	116.8630	0.000	1	115.2353	1.995	3	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.3330	0.000	1	114.3330	0.000	1	115.2353	1.995	3	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6]O[6]H)(H)3	114.5100	0.000	1	114.5100	0.000	1	115.2353	1.995	3	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]N[5]H)(O[6]C[6])(CF3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C(C[6]C[6]O[6]H)(F)3	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	115.2560	1.518	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC)(H)2	116.1840	0.000	1	116.1840	0.000	1	114.2300	4.054	3	113.9804	2.148	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	112.1620	0.000	1	112.1620	0.000	1	114.2300	4.054	3	113.9804	2.148	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	C(C[6]C[6]O[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OC)(H)2	114.3440	0.000	1	114.3440	0.000	1	114.2300	4.054	3	113.9804	2.148	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	C(C[6]Se[6]C[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	C(C[6]Se[6]C[6]H)(OC)(H)2	113.6060	0.123	2	113.6060	0.015	2	113.6060	0.015	2	113.9804	2.148	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CCO)(H)2	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:3:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CCH)(OH)(H)	116.0540	0.000	1	116.0540	0.000	1	116.0540	0.000	1	116.0540	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(COO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(H)2	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	115.3310	0.000	1	115.3310	0.000	1	114.0857	1.226	3	114.0857	1.226	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	113.2130	0.000	1	113.2130	0.000	1	114.0857	1.226	3	114.0857	1.226	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	113.7130	0.000	1	113.7130	0.000	1	114.0857	1.226	3	114.0857	1.226	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:1:	4:4:4:4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	C(C[6]C[6]O[6]H)(CH3)3	C[6](C[6]C[6]CH)(O[6]C[6])(CC3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)3	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:3:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(COO)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:3:3:	4:4:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]CN)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH){1|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(F)3	113.8487	0.353	3	113.8487	0.124	3	113.8487	0.124	3	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	114.3800	0.000	1	114.3800	0.000	1	113.9457	2.271	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	112.7910	0.000	1	112.7910	0.000	1	113.9457	2.271	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	114.5710	0.000	1	114.5710	0.000	1	113.9457	2.271	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(H)3	111.6070	0.000	1	111.6070	0.000	1	113.9457	2.271	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(H)3	115.8740	0.000	1	115.1625	1.012	2	113.9457	2.271	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(H)3	114.4510	0.000	1	115.1625	1.012	2	113.9457	2.271	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,1|H<1>,1|H<2>}	C(C[6]C[6]O[6]H)(H)3	117.5910	0.000	1	114.5052	5.858	4	114.2790	3.641	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPdHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.4767	1.562	3	114.5052	5.858	4	114.2790	3.641	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HN)(O[6]C[6])(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NPtHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	113.8265	0.125	2	113.8265	0.016	2	114.2790	3.641	6	114.0596	2.165	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	C(C[6]C[6]O[6]H)(OH)(H)2	C[6](C[6]C[6]HN)(O[6]C[6])(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(OH)(H)2	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	113.6830	0.000	1	114.3098	1.563	5	114.3098	1.563	5	114.3098	1.563	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	115.1525	0.476	2	114.3098	1.563	5	114.3098	1.563	5	114.3098	1.563	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(COO)(H)2	113.7805	1.911	2	114.3098	1.563	5	114.3098	1.563	5	114.3098	1.563	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:3:2:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	112.8630	0.000	1	112.8630	0.000	1	112.8630	0.000	1	112.8630	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:3:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	117.3590	0.000	1	117.3590	0.000	1	117.3590	0.000	1	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CH3)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(H)2	115.0350	2.592	2	115.0350	6.720	2	114.8670	1.912	12	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CHHO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(H)2	114.6900	0.000	1	114.6900	0.000	1	114.8670	1.912	12	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.6223	0.837	4	114.7097	0.444	6	114.8670	1.912	12	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.8845	0.163	2	114.7097	0.444	6	114.8670	1.912	12	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CH3)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CH3)(H)2	115.2005	3.409	2	115.2005	11.621	2	114.8670	1.912	12	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.9850	0.000	1	114.9850	0.000	1	114.8670	1.912	12	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]HS)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.6810	0.000	1	114.6810	0.000	1	114.6810	0.000	1	115.0317	2.069	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	114.8150	2.985	2	114.8150	8.913	2	115.2855	2.750	6	115.2855	2.750	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	114.5590	0.502	2	114.5590	0.252	2	115.2855	2.750	6	115.2855	2.750	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	116.1500	0.000	1	116.1500	0.000	1	115.2855	2.750	6	115.2855	2.750	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	116.8150	0.000	1	116.8150	0.000	1	115.2855	2.750	6	115.2855	2.750	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)2(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)2(CH3)(H)	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	117.2022	0.582	4	117.2022	0.338	4	116.6112	1.365	14	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	116.3335	1.036	2	116.3335	1.073	2	116.6112	1.365	14	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	114.9390	0.905	2	114.9390	0.819	2	116.6112	1.365	14	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CH3)2(H)	116.5610	0.805	2	116.5610	0.648	2	116.6112	1.365	14	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	117.1315	0.322	2	117.1315	0.104	2	116.6112	1.365	14	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	118.6730	0.000	1	118.6730	0.000	1	116.6112	1.365	14	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C(C[6]C[6]O[6]H)(CH3)2(H)	115.1450	0.000	1	115.1450	0.000	1	116.6112	1.365	14	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]O[6]H)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C(C[6]C[6]O[6]H)2(CH3)(H)	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	116.6036	1.203	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:N-2:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	C[6](C[6]O[6]CH)2(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	119.9455	8.426	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	119.9455	8.426	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	115.0950	0.000	1	115.0950	0.000	1	114.6645	0.371	2	114.6645	0.371	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	114.2340	0.000	1	114.2340	0.000	1	114.6645	0.371	2	114.6645	0.371	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	115.5907	0.737	3	115.5907	0.543	3	115.6210	2.053	5	115.6210	2.053	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	113.7800	0.000	1	113.7800	0.000	1	115.6210	2.053	5	115.6210	2.053	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	C(C[6]C[6]O[6]H)(CCHH)(H)2	117.5530	0.000	1	117.5530	0.000	1	115.6210	2.053	5	115.6210	2.053	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:3:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	C(C[6]C[6]O[6]H)(CCO)(H)2	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(CCO)(H)2	114.0310	0.000	1	114.0310	0.000	1	114.0310	0.000	1	114.0310	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	C(C[6]C[6]O[6]H)(F)3	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]H)(F)3	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	116.2675	1.673	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(H)3	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	116.2675	1.673	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)2(CH3)2	C(C[6]C[6]O[6]H)(COO)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)2{1|C<4>}	C(C[6]C[6]O[6]H)(COO)(H)2	115.9490	0.000	1	115.9490	0.000	1	115.9490	0.000	1	115.9490	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2	C(C[6]C[6]O[6]H)(CC3)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2{1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC3)(H)2	114.7910	0.000	1	114.7910	0.000	1	115.2245	0.376	2	115.2245	0.376	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2{1|C<4>}	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	115.6580	0.000	1	115.6580	0.000	1	115.2245	0.376	2	115.2245	0.376	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H)	C[6](C[6]O[6]CH)2(CH3)2	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]O[6]CH)2(CH3)2{1|C<4>}	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	118.4440	0.000	1	118.4440	0.000	1	119.1820	1.784	3	119.1820	1.784	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	C(C[6]C[6]O[6]H)(CH3)2(H)	118.3780	0.000	1	119.5510	2.752	2	119.1820	1.784	3	119.1820	1.784	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:1:	4:4:4:4:	4:4:4:1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]O[6]H)(CH3)2(H)	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|O<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	C(C[6]C[6]O[6]H)(CH3)2(H)	120.7240	0.000	1	119.5510	2.752	2	119.1820	1.784	3	119.1820	1.784	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	112.7450	1.345	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	112.7450	1.345	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	113.1305	0.045	2	113.0525	0.253	64	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	113.4530	0.440	2	113.0525	0.253	64	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	113.0366	0.511	60	113.0525	0.253	64	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	113.1810	0.180	2	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]O)(H)3	112.7764	0.445	13	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	114.0520	0.000	1	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	114.1680	0.000	1	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	113.0058	0.244	5	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]O)(H)3	112.3730	0.000	1	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	114.2256	0.389	13	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	113.2110	0.547	6	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	113.3845	0.412	2	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(H)3	113.1260	0.000	1	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	113.0705	0.489	2	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:2:4:2:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(H)3	113.4201	0.401	10	113.3774	0.449	57	113.2056	0.369	121	113.2056	0.369	121	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:3:1:1:	4:4:4:2:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH){1|O<1>,3|C<4>}	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2	C(C[6]C[6]N[6]O)(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	C(C[6]C[6]N[6]O)(H)3	110.9760	0.000	1	110.9760	0.000	1	110.3600	0.296	3	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2	C(C[6]C[6]N[6]O)(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|Se<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	C(C[6]C[6]N[6]O)(H)3	110.0520	0.153	2	110.0520	0.023	2	110.3600	0.296	3	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]CO)(H)2{2|H<1>,4|C<4>}	C(C[6]C[6]O[6]O)(H)3	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)3	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(F)3	110.3820	0.287	4	110.3820	0.082	4	110.9532	1.687	12	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(F)3	111.2970	0.556	2	111.2970	0.309	2	110.9532	1.687	12	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6]O)(F)3	110.3353	1.563	3	111.2193	3.206	6	110.9532	1.687	12	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]O)(F)3	110.1040	0.000	1	111.2193	3.206	6	110.9532	1.687	12	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<2>,3|C<3>}	C(C[6]C[6]O[6]O)(F)3	113.1030	0.679	2	111.2193	3.206	6	110.9532	1.687	12	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6]O[6]O)(H)3	114.2720	0.000	1	114.2720	0.000	1	113.7800	0.297	11	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OSi){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	C(C[6]C[6]O[6]O)(H)3	112.7360	0.000	1	112.7360	0.000	1	113.7800	0.297	11	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2{2|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.9490	0.692	2	113.9490	0.478	2	113.7800	0.297	11	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.7930	0.000	2	113.6585	0.025	6	113.7800	0.297	11	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|N<3>,3|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.5240	0.000	2	113.6585	0.025	6	113.7800	0.297	11	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.6585	0.230	2	113.6585	0.025	6	113.7800	0.297	11	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|O<1>,1|O<2>}	C(C[6]C[6]O[6]O)(H)3	114.7230	0.000	1	114.7230	0.000	1	113.7800	0.297	11	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(H)2(I)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(H)2(I)	112.6680	0.304	2	112.6680	0.092	2	112.6680	0.092	2	112.1882	2.779	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(OH)(H)2	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2	C(C[6]C[6]N[6]O)(CH3)(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2{1|C<3>}	C(C[6]C[6]N[6]O)(CH3)(H)2	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	111.8477	0.297	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(CH3)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(H)2{3|C<4>}	C(C[6]C[6]O[6]O)(CH3)(H)2	112.0620	0.000	1	112.0620	0.000	1	111.6307	0.162	3	111.8477	0.297	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(CCHH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CCHH)(H)2	111.2640	0.000	1	111.2640	0.000	1	111.6307	0.162	3	111.8477	0.297	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	C(C[6]C[6]O[6]O)(CCHO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]O)(CCHO)(H)2	111.5660	0.000	1	111.5660	0.000	1	111.6307	0.162	3	111.8477	0.297	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{2|C<3>}	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	116.9730	0.000	1	116.9730	0.000	1	116.9730	0.000	1	116.9730	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(H)3	113.3235	0.675	4	113.3235	0.456	4	113.3235	0.456	4	113.3235	0.456	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(OH)(H)2	110.6370	0.178	2	110.6370	0.032	2	112.3332	1.973	10	112.3332	1.973	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C(C[6]C[6]O[6]O)(OC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(OC)(H)2	113.5060	0.000	1	113.5060	0.000	1	112.3332	1.973	10	112.3332	1.973	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(OH)(H)2	112.2603	0.837	6	112.2603	0.701	6	112.3332	1.973	10	112.3332	1.973	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	C(C[6]C[6]O[6]O)(OH)(H)2	114.9900	0.000	1	114.9900	0.000	1	112.3332	1.973	10	112.3332	1.973	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(NCC)(H)2	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]O)(NCC)(H)2	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	112.4826	2.138	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C(C[6]C[6]O[6]O)(COO)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(COO)(H)2	111.3535	0.043	2	111.3535	0.002	2	111.3535	0.002	2	112.4826	2.138	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(NCC)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(NCC)(H)2	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.4826	2.138	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.4826	2.138	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(NCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(NCHH)(H)2	111.2960	2.216	2	111.2960	4.911	2	111.7030	2.952	3	111.7030	2.952	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	112.5170	0.000	1	112.5170	0.000	1	111.7030	2.952	3	111.7030	2.952	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(COO)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]O)(F)3	112.1480	0.000	1	112.1480	0.000	1	112.1480	0.000	1	112.5096	1.877	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6]O[6]CO)(CNO)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.5096	1.877	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	C(C[6]C[6]O[6]O)(F)3	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){1|C<4>,4|C<3>}	C(C[6]C[6]O[6]O)(F)3	110.5700	0.000	1	110.5700	0.000	1	110.5700	0.000	1	112.5096	1.877	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(COO)(H){4|C<3>}	C(C[6]C[6]O[6]O)(H)3	114.3820	0.000	1	114.3820	0.000	1	113.5055	1.537	2	112.5096	1.877	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CCO)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	112.6290	0.000	1	112.6290	0.000	1	113.5055	1.537	2	112.5096	1.877	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:3:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(COO)(H){1|C<4>,1|H<1>,1|I<1>}	C(C[6]C[6]O[6]O)(CCHO)(H)2	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C(C[6]C[6]O[6]O)(H)3	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	112.7930	1.072	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H)	C(C[6]C[6]O[6]O)(H)3	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(PO3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]O)(H)3	113.5250	0.000	1	113.5250	0.000	1	113.5250	0.000	1	112.7930	1.072	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:4:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]O[6]O)(OH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(OH)(H)2	115.7955	0.869	2	115.7955	0.755	2	115.7955	0.755	2	115.7955	0.755	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]O[6]O)(CH3)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]O)(CH3)(H)2	114.6100	0.000	2	114.6100	0.000	2	114.6100	0.000	2	114.6100	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:4:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	117.1040	0.000	1	117.1040	0.000	1	114.0083	10.318	3	114.0083	10.318	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:4:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	114.2300	0.000	1	114.2300	0.000	1	114.0083	10.318	3	114.0083	10.318	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:2:	4:4:4:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	110.6910	0.000	1	110.6910	0.000	1	114.0083	10.318	3	114.0083	10.318	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:2:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH)	C[6](C[6]O[6]CC)(O[6]C[3x6])(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH){1|C<4>}	C[6](C[6]O[6]CC)(O[6]C[3x6])(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:2:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]O[6]C)(CN)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CN)(H)2	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:2:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]O[6]C)(CCH)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN){1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CCH)(H)2	113.3540	0.148	2	113.3540	0.022	2	112.4830	2.287	3	112.4830	2.287	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:2:1:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]O[6]C)(COO)(H)2	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(COO)(H)2	110.7410	0.000	1	110.7410	0.000	1	112.4830	2.287	3	112.4830	2.287	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	109.3370	0.000	1	109.3370	0.000	1	109.6000	0.138	2	110.8607	1.819	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	109.8630	0.000	1	109.8630	0.000	1	109.6000	0.138	2	110.8607	1.819	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	110.9725	0.703	4	110.9725	0.494	4	111.1409	1.771	9	110.8607	1.819	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	109.2410	0.000	1	109.2410	0.000	1	111.1409	1.771	9	110.8607	1.819	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	C(C[6]C[6]O[6]C)(H)3	112.2850	0.000	1	112.2850	0.000	1	111.1409	1.771	9	110.8607	1.819	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	110.5600	0.516	2	110.5600	0.266	2	111.1409	1.771	9	110.8607	1.819	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]O[6])(CH3)(COO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	113.7320	0.000	1	113.7320	0.000	1	111.1409	1.771	9	110.8607	1.819	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:3:2:1:	C[6]-4:O[6]-2:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	112.1765	1.456	4	112.1765	2.118	4	112.1765	2.118	4	112.1765	2.118	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:4:3:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:1:1:	4:4:4:1:	C[6]-4:O[6]-2:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CH3)2(H)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(CH3)2(H)	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:3:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]N[6]C)(H)3	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	110.8020	1.325	2	110.8020	1.756	2	110.8020	1.756	2	110.5364	2.348	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2{1|B<4>,2|N<3>}	C(C[6]C[6]O[6]C)(F)3	108.8185	1.691	4	108.8185	2.858	4	108.8185	2.858	4	110.5364	2.348	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.2815	0.589	6	111.2815	0.347	6	111.2409	0.765	9	110.5364	2.348	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	109.4610	0.000	1	109.4610	0.000	1	111.2409	0.765	9	110.5364	2.348	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	112.0090	0.174	2	112.0090	0.030	2	111.2409	0.765	9	110.5364	2.348	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.4900	0.870	2	111.4900	0.756	2	111.4900	0.756	2	111.4900	0.756	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2{1|H<1>,2|C<4>}	C[6](C[6]O[6]CC)(O[6]C[6])(CHHO)(H){3|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.8077	1.625	4	111.8077	2.640	4	111.8077	2.640	4	111.8077	2.640	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:2:4:4:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2{1|C<4>,1|O<2>}	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2{1|B<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.7420	0.659	2	112.7420	0.434	2	112.2835	0.436	4	112.2835	0.436	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:2:4:4:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2{1|B<3>,2|C<3>}	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2{1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	111.8250	0.178	2	111.8250	0.032	2	112.2835	0.436	4	112.2835	0.436	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5]C[6]O[6])(H)3	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	111.0520	3.660	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2{1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2{1|In<4>,1|C<4>}	C(C[6]C[6]O[6]C)(F)3	108.0015	2.487	2	108.0015	6.185	2	108.0015	6.185	2	111.0520	3.660	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.2500	1.718	2	111.7337	0.737	6	111.7337	0.737	6	111.0520	3.660	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.9755	0.100	4	111.7337	0.737	6	111.7337	0.737	6	111.0520	3.660	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	C(C[6]C[6]S[6]C)(H)3	110.9450	0.600	2	110.9450	0.360	2	110.9450	0.360	2	111.0520	3.660	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2{1|H<1>,3|C<4>}	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(OH)(H)2	111.0990	1.447	4	111.0990	2.094	4	111.0990	2.094	4	111.0990	2.094	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2{1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	109.6055	0.916	2	109.6055	0.839	2	109.6055	0.839	2	109.6055	0.839	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H){1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	111.3620	2.010	2	111.3620	4.038	2	111.3620	4.038	2	111.3620	4.038	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	111.3787	0.523	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]C)(H)3	110.9610	0.000	2	110.9610	0.000	2	110.9610	0.000	2	111.3787	0.523	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	114.1570	0.066	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]O[6]C)(CHHO)(H)2	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6]C)(CHHO)(H)2	114.3050	0.000	2	114.3050	0.000	2	114.3050	0.000	2	114.1570	0.066	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O[6]-2:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[5]C[5]O[5]H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5]C[6]O[6])(H)3	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.0680	1.387	4	111.0680	1.923	4	111.0680	1.923	4	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2{3|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	110.3870	0.831	4	110.3870	0.691	4	110.9283	2.778	6	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	112.0110	2.881	2	112.0110	8.299	2	110.9283	2.778	6	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	112.2445	1.918	2	112.2445	3.680	2	112.6400	4.229	5	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	114.1580	0.000	1	114.1580	0.000	1	112.6400	4.229	5	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.2765	3.218	2	112.2765	10.356	2	112.6400	4.229	5	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.4220	0.947	4	113.4220	0.897	4	112.6431	2.109	16	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Br)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.2460	0.724	4	113.2460	0.524	4	112.6431	2.109	16	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.4430	1.701	2	111.6808	2.131	6	112.6431	2.109	16	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(Br)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.7997	1.591	4	111.6808	2.131	6	112.6431	2.109	16	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.7660	2.693	2	112.7660	7.250	2	112.6431	2.109	16	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.3395	0.682	2	111.3395	0.466	2	112.1183	2.861	18	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.1750	1.919	6	112.4039	2.756	14	112.1183	2.861	18	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	112.5355	1.568	2	112.4039	2.756	14	112.1183	2.861	18	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.5888	1.698	6	112.4039	2.756	14	112.1183	2.861	18	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	110.8980	2.646	2	110.8980	7.001	2	112.1183	2.861	18	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.2120	2.643	2	111.2120	6.986	2	111.2120	6.986	2	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(F)3	108.8720	2.301	2	108.8720	5.294	2	108.2464	1.249	13	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	C(C[6]C[6]O[6]C)(F)3	108.6535	0.730	2	108.6535	0.534	2	108.2464	1.249	13	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	C(C[6]C[6]O[6]C)(F)3	108.1012	1.044	4	108.1012	1.090	4	108.2464	1.249	13	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(F)3	107.5130	0.000	1	107.9494	1.063	5	108.2464	1.249	13	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(F)3	108.0585	1.157	4	107.9494	1.063	5	108.2464	1.249	13	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	C[6](C[6]O[6]CC)2(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)2(H)2{1|B<3>}	C(C[6]C[6]O[6]C)(H)3	112.5318	2.289	4	112.2470	5.315	8	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	C[6](C[6]O[6]CC)2(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{2|C<4>,2|O<2>}	C[6](C[6]O[6]CC)2(H)2{1|B<3>}	C(C[6]C[6]O[6]C)(H)3	111.9622	2.635	4	112.2470	5.315	8	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.3860	0.000	1	109.7860	1.920	3	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	108.9860	0.000	2	109.7860	1.920	3	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.9120	0.000	1	111.9120	0.000	1	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	110.9550	0.000	1	110.9550	0.000	1	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.5400	0.530	2	111.8367	1.478	14	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.7670	1.346	4	111.8367	1.478	14	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	111.3713	1.094	4	111.8367	1.478	14	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.0203	0.801	4	111.8367	1.478	14	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	108.8717	0.759	3	109.3007	1.121	4	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	110.5880	0.000	1	109.3007	1.121	4	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.7950	0.000	1	111.7950	0.000	1	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	C(C[6]C[6]O[6]C)(H)3	109.1820	0.208	2	109.1820	0.043	2	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.7800	0.000	1	112.9712	4.810	5	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	113.0190	2.530	4	112.9712	4.810	5	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]O[6]C)(H)3	111.7205	1.870	2	111.3653	1.720	4	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	111.0100	1.076	2	111.3653	1.720	4	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.3967	0.945	8	112.3967	0.894	8	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.1103	1.533	6	113.1103	2.349	6	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2{1|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.9335	0.875	6	111.9335	0.766	6	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.8455	1.484	2	112.8455	2.203	2	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2{1|P<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.7835	1.392	2	111.7835	1.938	2	111.8252	2.883	67	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2{1|Ge<4>}	C(C[6]C[6]O[6]C)(F)3	109.3015	0.910	2	109.3015	0.828	2	109.6628	0.844	4	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2{1|Si<4>}	C(C[6]C[6]O[6]C)(F)3	110.0240	1.088	2	110.0240	1.183	2	109.6628	0.844	4	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2	C(C[6]C[6]S[6]C)(F)3	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2{2|C<4>}	C(C[6]C[6]S[6]C)(F)3	108.9487	1.673	4	108.9487	2.800	4	108.9487	2.800	4	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{2|C<3>}	C(C[6]C[6]S[6]C)(H)3	110.9900	1.073	2	110.9900	1.152	2	110.9900	1.152	2	111.4457	3.993	143	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:3:2:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(COO)(OS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]C)(COO)(OS)(H)	112.4340	0.000	1	112.4340	0.000	1	112.4340	0.000	1	110.9407	1.683	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:3:2:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	110.1940	0.143	2	110.1940	0.020	2	110.1940	0.020	2	110.9407	1.683	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(CH3)(H)2	113.6360	1.007	2	113.6360	1.014	2	113.6360	1.014	2	112.0962	2.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CH3)(H)2	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	112.0962	2.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	110.9690	0.000	1	110.9690	0.000	1	110.3137	0.322	3	112.0962	2.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(CHHO)(H)2	109.9860	0.000	2	109.9860	0.000	2	110.3137	0.322	3	112.0962	2.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.0962	2.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	112.0962	2.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	113.4380	0.000	1	113.4380	0.000	1	112.5144	0.875	5	112.5144	0.875	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	112.6990	0.425	3	112.2835	0.811	4	112.5144	0.875	5	112.5144	0.875	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	111.0370	0.000	1	112.2835	0.811	4	112.5144	0.875	5	112.5144	0.875	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.9995	1.488	2	111.9995	2.216	2	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.9080	0.341	2	111.9080	0.116	2	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	113.9480	0.000	1	113.9480	0.000	1	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	112.4840	0.000	2	112.2410	0.079	4	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.9980	0.000	2	112.2410	0.079	4	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	C(C[6]C[6]O[6]C)(H)3	111.3785	1.730	2	111.3785	2.994	2	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	110.8490	1.538	4	110.8490	2.366	4	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.2340	1.724	2	112.2340	2.972	2	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.3710	0.000	1	112.5150	0.041	2	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.6590	0.000	1	112.5150	0.041	2	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	114.9220	0.000	1	114.9220	0.000	1	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.3729	0.357	12	111.3729	0.127	12	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C(C[6]C[6]O[6]C)(H)3	114.0857	0.630	4	114.0857	0.397	4	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.0420	0.000	1	112.0420	0.000	1	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.8635	1.419	2	111.4490	2.330	4	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.0345	2.071	2	111.4490	2.330	4	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	109.9680	4.518	2	109.9680	20.416	2	111.9045	2.290	43	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(H)2(I)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)2(I)	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(SC[6a])(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	112.3485	1.311	12	112.3485	1.719	12	112.3485	1.719	12	111.9616	2.215	56	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(OH)(H)2	109.8635	0.571	2	109.8635	0.326	2	109.8635	0.326	2	109.8635	0.326	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	107.8280	0.000	1	107.8280	0.000	1	111.3243	6.152	4	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	111.3030	0.000	1	111.3030	0.000	1	111.3243	6.152	4	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	113.0830	0.216	2	113.0830	0.047	2	111.3243	6.152	4	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	110.0270	0.000	1	110.0270	0.000	1	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	110.3090	0.000	2	110.6315	0.139	4	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	110.9540	0.000	2	110.6315	0.139	4	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	110.1730	0.000	1	110.5845	0.339	2	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	110.9960	0.000	1	110.5845	0.339	2	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	113.7160	0.000	1	113.7160	0.000	1	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	109.9200	0.640	12	109.9200	0.409	12	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	112.0010	0.499	4	112.0010	0.249	4	110.6034	1.280	24	110.7064	1.840	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	112.4585	3.007	2	112.4585	9.044	2	112.4585	9.044	2	111.8079	1.959	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:Cl-1:Cl-1:H-1:	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	C(C[6]C[6]O[6]C)(Cl)2(H)	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(Cl)2(H)	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	111.8079	1.959	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	111.8079	1.959	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.7865	0.193	2	111.7479	0.455	8	111.7479	0.455	8	111.8079	1.959	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.7245	1.006	4	111.7479	0.455	8	111.7479	0.455	8	111.8079	1.959	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)(H){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(H)3	111.7560	0.325	2	111.7479	0.455	8	111.7479	0.455	8	111.8079	1.959	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]O[6]CC)(C[6]C[6]O)(H){4|H<1>,5|C<4>}	C(C[6]C[6]O[6]C)(H)3	111.6130	2.061	2	111.6130	4.246	2	111.6130	4.246	2	111.8079	1.959	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	114.7125	3.119	2	114.7125	9.728	2	113.6525	4.795	4	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	112.5925	0.402	2	112.5925	0.162	2	113.6525	4.795	4	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(H)3	112.9995	0.334	2	112.9995	0.112	2	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	115.0780	0.000	1	115.0780	0.000	1	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	114.5194	1.132	5	114.3282	1.953	8	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	114.0097	2.008	3	114.3282	1.953	8	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.7045	0.455	4	112.7516	0.166	5	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(H)3	112.9400	0.000	1	112.7516	0.166	5	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	113.7933	0.703	6	113.7933	0.494	6	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	114.4760	0.000	1	114.4760	0.000	1	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	112.6939	1.307	23	112.6939	1.709	23	113.2317	1.753	46	113.2653	1.917	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CCH)(H)2	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]C)(CCH)(H)2	113.5950	0.526	2	113.5950	0.277	2	113.9180	0.451	3	113.9180	0.451	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:3:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CCH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(CCH)(H)2	114.5640	0.000	1	114.5640	0.000	1	113.9180	0.451	3	113.9180	0.451	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	113.0415	4.689	2	113.0415	21.985	2	113.0415	21.985	2	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	113.9504	1.723	5	114.0687	4.165	8	114.5495	4.533	15	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	114.2660	2.924	3	114.0687	4.165	8	114.5495	4.533	15	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	115.8648	1.624	4	115.8170	1.990	5	114.5495	4.533	15	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	115.6260	0.000	1	115.8170	1.990	5	114.5495	4.533	15	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	115.8890	0.000	1	115.8890	0.000	1	114.5495	4.533	15	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	110.7190	0.000	1	110.7190	0.000	1	114.5495	4.533	15	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:2:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	114.7670	0.000	1	114.7670	0.000	1	114.7670	0.000	1	114.3941	5.271	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	110.7425	0.012	2	110.7425	0.000	2	110.7425	0.000	2	110.0632	0.922	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2{1|N<3>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	110.0632	0.922	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2{1|B<4>,1|H<1>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(Cl)(H)2	108.7060	0.000	1	108.7060	0.000	1	108.7060	0.000	1	110.0632	0.922	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:S-2:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H)	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a])(CH3){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2S)(H)3	112.6120	1.786	2	112.6120	3.190	2	112.6120	3.190	2	112.3750	1.764	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H)	C(C[6]C[6a]C[6]O[6])(F)3	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H){1|H<1>,5|C<3>}	C(C[6]C[6a]C[6]O[6])(F)3	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	112.3750	1.764	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(H)3	109.5400	0.000	1	109.5400	0.000	1	109.6203	0.016	3	111.9107	6.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	109.6605	0.148	2	109.6605	0.022	2	109.6203	0.016	3	111.9107	6.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2{1|O<1>,2|O<2>,4|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	115.4630	0.000	1	115.4630	0.000	1	115.4630	0.000	1	111.9107	6.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	113.3860	0.000	1	113.5700	0.068	2	113.5700	0.068	2	111.9107	6.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6a]C[6]O[6])(H)3	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Br)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6a]C[6]O[6])(H)3	113.7540	0.000	1	113.5700	0.068	2	113.5700	0.068	2	111.9107	6.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	4:4:2:1:	4:1:1:1:	C[6]-4:S[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3)	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H)	C(C[6]C[6]S[6]2)(H)3	C[6](C[6]C[6]O[6]H)(S[6]C[6]O)(S[6]C[6])(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6]C[6]S[6]2)(H)3	113.7795	1.290	2	113.7795	1.665	2	113.7795	1.665	2	113.7795	1.665	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:2:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C(C[6]C[6]2N[6])(H)3	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]O)(CCHH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C(C[6]C[6a]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6a]C[6]2)(CCH)(H)2	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	107.4145	0.380	2	107.4145	0.144	2	107.4145	0.144	2	107.4145	0.144	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	110.5457	1.473	3	110.5457	2.169	3	110.5457	2.169	3	110.5457	2.169	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	3:4:3:3:	4:1:1:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2{1|N<2>,6|H<1>,8|C<3>}	C(C[6]C[6a]C[6]2)(H)3	112.2795	0.295	2	112.2795	0.087	2	112.2795	0.087	2	112.2795	0.087	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	3:4:4:4:	4:2:1:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C(C[6]C[6a]C[6]2)(OC)(H)2	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(OC)(H)2	109.1050	0.580	2	109.1050	0.336	2	109.1050	0.336	2	109.1050	0.336	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H)	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]H)(C[6]N[6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2N[6])(H)3	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:3:3:1:	4:4:1:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(CH3)(H)2	108.1170	0.341	2	108.1170	0.116	2	108.1170	0.116	2	108.1170	0.116	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){5|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-3:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5]O)(CCHH){1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,2|O<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.2805	0.141	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	110.2805	0.141	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]O)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)2(CH3){1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|N<1>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]3)(H)3	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:3:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6]C[6]3)(CH3)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]O)2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C(C[6]C[6]3)(CH3)(H)2	110.7190	0.560	3	110.7190	0.314	3	110.7190	0.314	3	110.7190	0.314	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	2:4:4:4:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|Nb<6>,1|C<4>}	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|N<3>}	C(C[6]C[6]2H)(CCH)(H)2	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:2:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.1695	1.821	2	114.1695	3.315	2	114.1695	3.315	2	113.9430	1.494	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	113.9430	1.494	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	113.9430	1.494	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	113.9430	1.494	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(CH3)(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	111.8652	1.004	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	110.7660	0.000	1	110.7660	0.000	1	112.0528	1.104	4	111.8652	1.004	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.6395	0.977	2	112.4817	0.552	3	112.0528	1.104	4	111.8652	1.004	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.1660	0.000	1	112.4817	0.552	3	112.0528	1.104	4	111.8652	1.004	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(OH)(H)2	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	111.5650	0.004	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5650	0.004	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	113.8266	5.376	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	114.7540	0.092	2	114.7540	0.008	2	114.7540	0.008	2	113.8266	5.376	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(CN[5]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	113.8266	5.376	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(CCHH)(H){5|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	112.8970	0.000	1	112.8970	0.000	1	112.8970	0.000	1	113.8266	5.376	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]O)(CCHH)(H){1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	115.1410	0.018	2	115.1410	0.000	2	115.1410	0.000	2	113.3662	2.400	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	113.1670	0.000	1	113.1670	0.000	1	113.1670	0.000	1	113.3662	2.400	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]N)(CCHH)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	113.3662	2.400	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	111.7160	0.000	1	111.7160	0.000	1	111.7160	0.000	1	113.3662	2.400	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	113.3662	2.400	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:2:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:3:4:4:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6]N[6]H)(CCH)(H)2	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[5a]CH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(CH3)(H){1|B<3>,2|C<3>}	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	111.7720	0.000	1	111.7720	0.000	1	112.5493	0.772	3	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.9380	0.799	2	112.9380	0.638	2	112.5493	0.772	3	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(Br)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C(C[6]C[6]N[6]H)(Br)(H)2	114.7250	0.000	1	114.7250	0.000	1	114.7250	0.000	1	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(Cl)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(Cl)3	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(Br)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|S<4>,4|C<3>}	C(C[6]C[6]N[6]H)(Br)(H)2	113.5770	0.000	1	113.5770	0.000	1	113.5770	0.000	1	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.2718	0.798	12	111.2718	0.636	12	111.2718	0.636	12	112.0184	1.678	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OC)(H)2	110.7230	1.168	2	110.7230	1.365	2	111.4313	1.333	7	111.4313	1.333	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	110.1530	0.000	1	111.7146	1.307	5	111.4313	1.333	7	111.4313	1.333	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	111.7870	0.656	2	111.7146	1.307	5	111.4313	1.333	7	111.4313	1.333	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	112.4230	1.160	2	111.7146	1.307	5	111.4313	1.333	7	111.4313	1.333	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	112.9933	2.830	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	112.9933	2.830	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]Pd)(CC[6a]HH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	112.9933	2.830	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:3:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCH)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6]2H)(COO)2(H)	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:3:3:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	112.8800	0.776	2	112.8800	0.603	2	113.1410	0.506	3	113.1410	0.506	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:3:3:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	113.6630	0.000	1	113.6630	0.000	1	113.1410	0.506	3	113.1410	0.506	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CClHH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CClHH)(H)2	110.1810	0.000	1	110.1810	0.000	1	111.8160	2.328	3	112.5195	3.532	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	113.2020	0.000	1	112.6335	0.646	2	111.8160	2.328	3	112.5195	3.532	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6,6]O)(CCHH)(H){3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CHHO)(H)2	112.0650	0.000	1	112.6335	0.646	2	111.8160	2.328	3	112.5195	3.532	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	114.6300	0.000	1	114.6300	0.000	1	114.6300	0.000	1	112.5195	3.532	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:1:1:	4:4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCCO)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,4|C<3>}	C(C[6]C[6]2H)(CH3)2(OH)	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.5190	0.000	1	113.5190	0.000	1	113.5190	0.000	1	112.8530	0.887	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.8530	0.887	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6]2H)(H)3	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.9975	1.007	4	112.6417	1.897	6	112.6417	1.897	6	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.9300	2.219	2	112.6417	1.897	6	112.6417	1.897	6	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(F)3	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(F)3	113.1405	0.347	2	113.1405	0.121	2	113.1405	0.121	2	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	114.4940	0.000	1	114.4940	0.000	1	112.4531	4.360	13	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	109.5900	0.000	1	112.3850	15.624	2	112.4531	4.360	13	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	115.1800	0.000	1	112.3850	15.624	2	112.4531	4.360	13	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.5283	1.683	3	110.5283	2.834	3	112.4531	4.360	13	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.8555	0.104	2	113.0059	2.267	7	112.4531	4.360	13	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.2130	1.161	2	113.0059	2.267	7	112.4531	4.360	13	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.9680	2.184	3	113.0059	2.267	7	112.4531	4.360	13	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	112.4363	3.942	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	113.6737	1.885	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]C)(CCHH)(H){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.0890	0.000	1	112.0890	0.000	1	112.0890	0.000	1	113.6737	1.885	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	113.6737	1.885	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:S-4:C-2:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(SC[6a]OO)(CN)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(CCHS)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C(C[6]C[6]2H)(SC[6a]OO)(CN)(H)	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:2:2:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)2	115.5740	0.000	1	115.5740	0.000	1	115.5740	0.000	1	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.3210	0.000	1	114.0590	0.137	2	114.7162	0.551	5	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.7970	0.000	1	114.0590	0.137	2	114.7162	0.551	5	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.7980	0.000	1	114.7980	0.000	1	114.7162	0.551	5	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	115.3325	0.660	2	115.3325	0.435	2	114.7162	0.551	5	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.1430	0.464	2	111.1430	0.215	2	112.1068	1.350	4	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.3140	0.000	1	113.3140	0.000	1	112.1068	1.350	4	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.8270	0.000	1	112.8270	0.000	1	112.1068	1.350	4	113.7582	2.783	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.9490	0.000	1	111.2557	0.338	3	111.8247	1.521	4	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.4090	0.731	2	111.2557	0.338	3	111.8247	1.521	4	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	113.5320	0.000	1	113.5320	0.000	1	111.8247	1.521	4	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	115.3320	0.000	1	115.3320	0.000	1	114.6790	0.853	2	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.0260	0.000	1	114.0260	0.000	1	114.6790	0.853	2	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4985	0.759	2	111.4515	1.087	10	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.5740	1.155	2	111.4515	1.087	10	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7283	1.084	6	111.4515	1.087	10	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.9140	0.000	1	111.9140	0.000	1	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.3230	0.000	1	110.6616	0.450	5	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.7570	0.574	2	110.6616	0.450	5	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.7355	1.152	2	110.6616	0.450	5	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.1271	0.466	15	111.4289	0.650	39	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	113.3540	0.000	1	111.4289	0.650	39	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.5430	1.204	4	111.4289	0.650	39	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3729	0.759	16	111.4289	0.650	39	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	112.3120	0.546	2	111.4289	0.650	39	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.7040	0.000	1	111.4289	0.650	39	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	114.0700	0.000	1	112.9442	0.542	9	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	112.4093	0.685	4	112.9442	0.542	9	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.1977	0.293	4	112.9442	0.542	9	111.5931	0.996	64	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:N[3,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C(C[6]N[3,6]C[6]H)(H)3	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3])(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]N[3,6]C[6]H)(H)3	111.5105	0.268	2	111.5105	0.072	2	111.5105	0.072	2	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C(C[6]C[6]N[6]H)(F)3	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(F)3	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	111.6786	1.215	73	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:Br-1:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br)	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H)	C(C[6]C[6]2Br)(CCHH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Br){1|O<2>,1|S<4>,3|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]2Br)(CCHH)(H)2	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:Cl-1:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl)	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C(C[6]C[6]2Cl)(CCHH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl){1|O<2>,1|S<4>,3|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]2Cl)(CCHH)(H)2	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	111.8270	0.000	1	111.8270	0.000	1	113.2325	3.951	2	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	114.6380	0.000	1	114.6380	0.000	1	113.2325	3.951	2	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(CHHN)(H)2	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]Si)(CSiHH)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2H)(SiC[6a]2C)(H)2	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCHH)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	116.9995	0.467	2	116.9995	0.218	2	116.9995	0.218	2	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	112.3540	0.000	1	112.3540	0.000	1	112.4064	1.815	12	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.1410	0.738	2	113.1410	0.545	2	112.4064	1.815	12	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	110.9427	1.347	3	110.9427	1.814	3	112.4064	1.815	12	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.1190	0.168	2	113.1190	0.028	2	112.4064	1.815	12	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(CClHH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CClHH)(H)2	113.0660	0.113	2	113.0660	0.013	2	112.4064	1.815	12	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	114.3010	0.000	1	114.3010	0.000	1	112.4064	1.815	12	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	110.7420	0.000	1	110.7420	0.000	1	112.4064	1.815	12	113.0915	3.452	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	114.3275	0.820	2	114.3275	0.672	2	114.3275	0.672	2	114.3275	0.672	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	110.7460	0.000	1	112.8045	2.335	4	113.8361	2.772	10	113.8361	2.772	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.4907	0.823	3	112.8045	2.335	4	113.8361	2.772	10	113.8361	2.772	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.1420	0.054	2	113.1420	0.003	2	113.8361	2.772	10	113.8361	2.772	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.2148	1.306	4	115.2148	1.706	4	113.8361	2.772	10	113.8361	2.772	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:3:3:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CCO)(H)2	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	3:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CC[6a]CH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]2H)(H)3	113.4560	0.000	1	113.4560	0.000	1	113.4560	0.000	1	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	115.0280	0.000	1	115.0280	0.000	1	116.7160	5.699	2	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	118.4040	0.000	1	118.4040	0.000	1	116.7160	5.699	2	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	115.4820	0.000	1	112.1413	8.403	3	112.7420	4.357	6	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.4710	0.256	2	112.1413	8.403	3	112.7420	4.357	6	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.7100	0.000	1	114.7100	0.000	1	112.7420	4.357	6	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	112.6590	0.109	2	112.6590	0.012	2	112.7420	4.357	6	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	113.5747	4.936	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	C(C[6]C[6]2H)(SC[6a])(H)2	C[6](C[6]N[6]CH)(C[6]N[6]O)(CHHS)(H){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]2H)(SC[6a])(H)2	116.3470	0.134	2	116.3470	0.018	2	116.3470	0.018	2	113.2845	13.027	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H){1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	109.3420	0.000	1	109.3420	0.000	1	109.3420	0.000	1	113.2845	13.027	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OC)(H)2	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	113.2845	13.027	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2H)(CCH)(H)2	115.2900	0.000	1	115.2900	0.000	1	115.2900	0.000	1	114.3310	1.839	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:3:1:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	C(C[6]C[6]S[6]H)(CCH)(H)2	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(CCHH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]S[6]H)(CCH)(H)2	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	114.3310	1.839	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	111.8285	0.398	2	111.8285	0.158	2	113.8834	3.714	5	112.9556	2.712	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	115.2533	0.557	3	115.2533	0.311	3	113.8834	3.714	5	112.9556	2.712	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	112.9556	2.712	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.8060	0.000	1	111.8060	0.000	1	111.8610	0.006	2	112.9556	2.712	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	111.9160	0.000	1	111.9160	0.000	1	111.8610	0.006	2	112.9556	2.712	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	112.7500	0.000	1	112.7500	0.000	1	112.1035	0.836	2	112.9556	2.712	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	111.4570	0.000	1	111.4570	0.000	1	112.1035	0.836	2	112.9556	2.712	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CCCH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(CCHH)2(H)	114.5990	0.348	2	114.5990	0.121	2	114.5990	0.121	2	114.5990	0.121	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]H)(CC3)(H){3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)3	113.0270	0.808	3	113.0270	0.653	3	111.6380	8.152	4	112.6580	11.316	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6a]CH)(C[6]C[5a,6]H)(CC3)(H){3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)3	107.4710	0.000	1	107.4710	0.000	1	111.6380	8.152	4	112.6580	11.316	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	112.6580	11.316	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:2:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	115.6140	0.000	1	115.6140	0.000	1	115.6140	0.000	1	115.6140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(H)3	113.3570	0.000	1	113.3570	0.000	1	112.9510	0.163	3	113.4068	0.471	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.5500	0.000	1	112.5500	0.000	1	112.9510	0.163	3	113.4068	0.471	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]N[6]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.9460	0.000	1	112.9460	0.000	1	112.9510	0.163	3	113.4068	0.471	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	114.0905	0.033	2	114.0905	0.001	2	114.0905	0.001	2	113.4068	0.471	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	3:4:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H)	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(CCHH)(H){1|Si<5>,2|N<2>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	112.9237	0.474	3	112.9237	0.225	3	112.9237	0.225	3	112.9237	0.225	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2H)(H)3	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	113.8768	12.611	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(Br)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(Br)(H)2	111.9822	0.476	4	111.9822	0.227	4	111.9822	0.227	4	113.8768	12.611	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(H)3	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	113.8768	12.611	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]O[6]HH)(S[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]S[6]H)(H)3	113.9390	2.346	2	113.9390	5.505	2	113.9390	5.505	2	113.8768	12.611	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	111.8180	0.000	1	111.8180	0.000	1	112.1646	1.159	5	112.2290	0.952	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	113.4370	0.000	1	112.0575	3.806	2	112.1646	1.159	5	112.2290	0.952	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	110.6780	0.000	1	112.0575	3.806	2	112.1646	1.159	5	112.2290	0.952	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	112.4450	0.727	2	112.4450	0.528	2	112.1646	1.159	5	112.2290	0.952	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-3:H-1:H-1:	C[6](C[6]O[6]HH)(S[6]C[6]Cu)(CHHS)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]S[6]H)(SCuC)(H)2	C[6](C[6]O[6]HH)(S[6]C[6]Cu)(CHHS)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,1|H<1>}	C(C[6]C[6]S[6]H)(SCuC)(H)2	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	112.2290	0.952	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:3:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:1:1:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CHHN)(CCH)(H)	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	111.4950	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6a]O)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:3:2:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-2:C-3:S-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(COO)(SC)	C(C[6]C[6]2H)(CHO)(H)2	C[6](C[6]S[6]CS)(C[6]C[6]H)(CCHH)(H){2|C<4>}	C[6](C[6]C[6]CH)(S[6]C[6])(COO)(SC){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CHO)(H)2	111.7880	0.000	1	111.7880	0.000	1	111.7880	0.000	1	111.7880	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:O[6]-2:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br)	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H)	C(C[6]C[6]2Br)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(CH3)(Br){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]BrC)(O[6]C[6,6a])(C[6]C[6]2H)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C(C[6]C[6]2Br)(H)3	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.7690	0.000	1	111.7690	0.000	1	112.7621	2.678	15	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	110.9040	0.651	3	110.9040	0.424	3	112.7621	2.678	15	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	112.7570	0.000	1	112.7570	0.000	1	112.7621	2.678	15	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]2H)(H)3	112.3447	1.040	3	113.4111	2.749	8	112.7621	2.678	15	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]2H)(H)3	113.4758	1.291	4	113.4111	2.749	8	112.7621	2.678	15	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C(C[6]C[6]2H)(H)3	116.3520	0.000	1	113.4111	2.749	8	112.7621	2.678	15	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.4525	1.316	2	113.4525	1.732	2	112.7621	2.678	15	112.8227	2.558	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]O[6]CH)(C[6]C[6]O)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.6810	0.000	1	112.6810	0.000	1	112.6810	0.000	1	112.6810	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:4:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	115.9240	0.000	2	115.9240	0.000	2	115.9240	0.000	2	115.9240	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2H)(CCHO)(H)2	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.2120	0.683	2	112.2120	0.467	2	112.2120	0.467	2	112.2120	0.467	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:S-2:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]HS)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a])(H)	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.1930	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	112.5790	0.342	2	112.5790	0.117	2	112.5790	0.117	2	112.5790	0.117	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	113.6065	0.336	2	113.6065	0.113	2	113.4430	0.137	3	113.4430	0.137	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	113.1160	0.000	1	113.1160	0.000	1	113.4430	0.137	3	113.4430	0.137	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.2090	0.000	1	111.2090	0.000	1	110.8370	0.788	4	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.7440	0.000	1	109.7440	0.000	1	110.8370	0.788	4	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]2H)(H)3	110.5770	0.000	1	110.5770	0.000	1	110.8370	0.788	4	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	111.8180	0.000	1	111.8180	0.000	1	110.8370	0.788	4	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	109.3210	0.000	1	110.5725	3.133	2	110.5725	3.133	2	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)(H){1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8240	0.000	1	110.5725	3.133	2	110.5725	3.133	2	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	112.7120	0.000	1	113.0715	0.258	2	111.9919	1.020	8	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.4310	0.000	1	113.0715	0.258	2	111.9919	1.020	8	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	C(C[6]C[6]N[6]H)(H)3	111.7280	0.000	1	110.8085	1.691	2	111.9919	1.020	8	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	109.8890	0.000	1	110.8085	1.691	2	111.9919	1.020	8	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.0350	0.007	2	112.0350	0.000	2	111.9919	1.020	8	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|O<2>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.0525	0.217	2	112.0525	0.047	2	111.9919	1.020	8	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(Cl)(H)2	114.5020	0.000	1	114.5020	0.000	1	114.5020	0.000	1	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	114.0300	0.000	1	112.1742	6.017	5	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	114.1450	0.000	1	112.1742	6.017	5	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	110.4910	0.000	1	112.1742	6.017	5	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.5120	0.000	1	112.1742	6.017	5	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	108.6930	0.000	1	112.1742	6.017	5	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	111.9380	0.000	1	111.9380	0.000	1	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.7970	0.557	2	112.7970	0.310	2	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	111.4850	0.000	1	111.5765	0.017	2	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.6680	0.000	1	111.5765	0.017	2	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.2260	0.000	1	110.2260	0.000	1	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	112.5260	0.000	1	112.5260	0.000	1	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	113.6640	0.000	1	113.6640	0.000	1	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	113.6400	0.000	1	113.6400	0.000	1	112.2580	2.626	14	111.9497	2.263	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CCO)(H)2	108.8843	0.406	3	108.8843	0.165	3	108.9630	0.135	4	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(CC[3]O)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CC[3]O)(H)2	109.1990	0.000	1	109.1990	0.000	1	108.9630	0.135	4	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Si<4>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	110.9200	0.000	1	113.0230	2.149	4	112.6900	2.166	5	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	113.2640	0.000	1	113.0230	2.149	4	112.6900	2.166	5	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	113.9540	0.482	2	113.0230	2.149	4	112.6900	2.166	5	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	111.3580	0.000	1	111.3580	0.000	1	112.6900	2.166	5	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(COO)(H)2	112.6740	0.000	1	112.6740	0.000	1	110.3570	10.737	2	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	108.0400	0.000	1	108.0400	0.000	1	110.3570	10.737	2	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	109.0420	0.000	1	109.0420	0.000	1	110.8060	6.223	2	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	112.5700	0.000	1	112.5700	0.000	1	110.8060	6.223	2	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	112.3140	0.000	1	112.8990	2.253	5	113.5122	4.058	6	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	112.3237	1.080	3	112.8990	2.253	5	113.5122	4.058	6	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	115.2100	0.000	1	112.8990	2.253	5	113.5122	4.058	6	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	116.5780	0.000	1	116.5780	0.000	1	113.5122	4.058	6	111.8692	5.574	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:3:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	113.0100	7.046	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:3:3:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	113.0100	7.046	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(PFeCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(PFeCC)(H)2	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	112.7836	1.332	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:F-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	112.7836	1.332	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	114.0300	0.021	2	114.0300	0.000	2	113.2060	0.663	8	112.7836	1.332	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	113.2375	1.102	2	113.2375	1.215	2	113.2060	0.663	8	112.7836	1.332	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)(H)2	113.2160	0.174	2	113.2160	0.030	2	113.2060	0.663	8	112.7836	1.332	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	112.3405	0.730	2	112.3405	0.534	2	113.2060	0.663	8	112.7836	1.332	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(OH)(H)2	112.0640	0.048	2	112.0640	0.002	2	112.0640	0.002	2	112.0640	0.002	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:2:1:	4:4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]N[6]CH)(C[6]C[6]W)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:2:2:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2	C(C[6]C[6]2H)(CCHH)(NOO)(H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(CCHN)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2{1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CCHH)(NOO)(H)	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.9390	0.000	1	113.9390	0.000	1	113.9390	0.000	1	113.9390	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	112.5853	0.432	3	112.5853	0.186	3	112.5853	0.186	3	112.1006	1.346	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]C)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2H)(H)3	112.6480	0.000	1	112.6480	0.000	1	112.6480	0.000	1	112.1006	1.346	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]Rh)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)(H){1|Rh<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]Rh)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)3	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	112.1006	1.346	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.9220	0.156	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:3:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	112.0440	0.471	2	112.0440	0.222	2	112.0440	0.222	2	111.9220	0.156	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(COO)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.1800	0.000	1	115.1800	0.000	1	115.1800	0.000	1	115.1800	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HP)(C[6]O[6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(PO3)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	115.1393	2.955	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.4765	1.809	2	114.4765	3.274	2	114.4765	3.274	2	115.1393	2.955	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	109.9700	0.000	1	109.9700	0.000	1	112.1020	4.207	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	111.5460	0.000	1	111.7755	0.105	2	112.1020	4.207	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,3|O<1>,6|C<3>}	C(C[6]C[6]2H)(H)3	112.0050	0.000	1	111.7755	0.105	2	112.1020	4.207	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CH3)(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	114.8870	0.000	1	114.8870	0.000	1	112.1020	4.207	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H)	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	112.7780	0.000	1	112.7780	0.000	1	112.7780	0.000	1	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2H)(F)3	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	111.0510	0.000	1	111.0510	0.000	1	111.7720	0.470	3	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|O<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.4160	0.000	1	112.1325	0.161	2	111.7720	0.470	3	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8490	0.000	1	112.1325	0.161	2	111.7720	0.470	3	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	113.4850	0.000	1	113.4850	0.000	1	111.8115	1.620	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2H)(H)3	112.1100	0.000	1	111.2537	0.564	3	111.8115	1.620	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	110.8255	0.165	2	111.2537	0.564	3	111.8115	1.620	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	113.2175	0.084	2	113.2175	0.007	2	113.4438	8.024	5	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2H)(H)3	113.5947	3.995	3	113.5947	15.960	3	113.4438	8.024	5	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	111.2340	0.260	2	111.2340	0.068	2	112.5395	2.299	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.8450	0.116	2	113.8450	0.013	2	112.5395	2.299	4	112.4890	3.208	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.9023	0.666	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	111.3870	0.000	1	111.3870	0.000	1	111.9380	0.607	2	111.9023	0.666	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	112.4890	0.000	1	112.4890	0.000	1	111.9380	0.607	2	111.9023	0.666	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	111.9023	0.666	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:3:3:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	114.7980	1.855	2	114.7980	3.443	2	115.0307	1.884	3	115.0307	1.884	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:3:3:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	115.4960	0.000	1	115.4960	0.000	1	115.0307	1.884	3	115.0307	1.884	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	109.9720	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CF3)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	116.9395	0.531	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.9395	0.531	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC3)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CH3)3	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH){1|C<4>,1|O<1>}	C(C[6]C[6]2H)(H)3	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:2:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCH)(H)2	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:3:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	112.8430	0.000	1	112.8430	0.000	1	112.4295	0.342	2	112.4295	0.342	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]2H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	112.0160	0.000	1	112.0160	0.000	1	112.4295	0.342	2	112.4295	0.342	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	115.0580	0.000	1	115.0580	0.000	1	115.0580	0.000	1	112.1578	3.291	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	110.6050	2.222	2	110.6050	4.936	2	111.9578	2.298	6	112.1578	3.291	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.4710	0.000	1	113.4710	0.000	1	111.9578	2.298	6	112.1578	3.291	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.6490	0.000	1	112.3553	0.065	3	111.9578	2.298	6	112.1578	3.291	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.2085	0.018	2	112.3553	0.065	3	111.9578	2.298	6	112.1578	3.291	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	112.1578	3.291	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	113.3663	0.879	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	112.9410	0.000	1	112.9410	0.000	1	112.8087	0.463	3	113.3663	0.879	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	112.0720	0.000	1	112.0720	0.000	1	112.8087	0.463	3	113.3663	0.879	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	113.4130	0.000	1	113.4130	0.000	1	112.8087	0.463	3	113.3663	0.879	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	113.8328	1.257	4	113.8328	1.581	4	113.7335	0.992	6	113.3663	0.879	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	113.5350	0.314	2	113.5350	0.099	2	113.7335	0.992	6	113.3663	0.879	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]CH)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CFeO)(H)	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	113.3237	3.817	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[5a]CH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(COO)(H)	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	113.3237	3.817	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(H)	113.9715	0.542	2	113.9715	0.294	2	113.9715	0.294	2	113.3237	3.817	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]HN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	114.0990	1.495	2	114.0990	2.234	2	113.6500	2.142	6	113.3237	3.817	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a]H)(H)	113.4255	1.620	4	113.4255	2.624	4	113.6500	2.142	6	113.3237	3.817	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	110.6460	0.000	1	110.6460	0.000	1	112.5928	1.371	12	112.5928	1.371	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	113.4080	0.000	1	113.4080	0.000	1	112.5928	1.371	12	112.5928	1.371	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	113.9670	0.000	1	114.0340	0.009	2	112.5928	1.371	12	112.5928	1.371	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	114.1010	0.000	1	114.0340	0.009	2	112.5928	1.371	12	112.5928	1.371	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	112.5654	0.585	5	112.5654	0.342	5	112.5928	1.371	12	112.5928	1.371	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	112.8795	0.378	2	112.8795	0.143	2	112.5928	1.371	12	112.5928	1.371	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	110.4060	0.000	1	110.4060	0.000	1	112.5928	1.371	12	112.5928	1.371	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	115.6068	1.644	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	116.7860	0.000	1	116.7860	0.000	1	115.8967	1.962	3	115.6068	1.644	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CC)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	115.4520	1.655	2	115.4520	2.738	2	115.8967	1.962	3	115.6068	1.644	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(CH3)(H){4|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1720	0.000	1	112.1720	0.000	1	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(H)3	111.0460	0.000	1	111.0460	0.000	1	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H)	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CH3)(H){2|C<3>,2|S<2>}	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	112.5780	0.000	1	112.5780	0.000	1	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.2830	2.001	2	111.8603	2.502	6	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|C<3>}	C(C[6]C[6]2H)(H)3	112.4127	0.430	3	111.8603	2.502	6	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,4|C<3>}	C(C[6]C[6]2H)(H)3	113.3580	0.000	1	111.8603	2.502	6	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7590	0.000	1	111.7590	0.000	1	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)(H){4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	112.2500	0.000	1	112.2500	0.000	1	111.9061	1.392	11	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.6470	0.453	2	112.6470	0.205	2	111.9059	2.480	7	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|O<1>}	C(C[6]C[6]2H)(H)3	112.3745	0.019	2	112.3745	0.000	2	111.9059	2.480	7	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	109.7390	0.284	2	109.7390	0.081	2	111.9059	2.480	7	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	113.8200	0.000	1	113.8200	0.000	1	111.9059	2.480	7	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	109.7860	0.000	1	109.7860	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.3370	0.997	2	111.0037	0.830	3	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.3370	0.000	1	111.0037	0.830	3	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7590	0.000	1	110.7590	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.7460	0.000	1	110.7460	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2H)(H)3	112.3250	0.000	1	112.1715	0.047	2	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.0180	0.000	1	112.1715	0.047	2	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(H){1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.5000	0.000	1	111.5000	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	114.2110	0.000	1	114.2110	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.5830	0.000	1	112.6187	0.120	3	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	112.9810	0.000	1	112.6187	0.120	3	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2920	0.000	1	112.6187	0.120	3	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.5590	0.188	3	112.5590	0.036	3	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<2>,1|S<4>}	C(C[6]C[6]2H)(H)3	110.6570	0.000	1	110.6570	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.8800	0.000	1	112.8800	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(H)3	111.1490	0.000	1	111.1490	0.000	1	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	112.6030	1.219	2	112.6030	1.486	2	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	111.9717	0.578	3	111.9717	0.334	3	111.9040	1.142	24	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]2H)(H)2(I)	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2{2|H<1>,5|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.4230	0.324	2	112.4230	0.105	2	113.0657	1.292	3	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	114.3510	0.000	1	114.3510	0.000	1	113.0657	1.292	3	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(Cl)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{3|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(Cl)3	111.1630	0.062	2	111.1630	0.004	2	111.1630	0.004	2	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(Cl)(H)2	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<4>}	C(C[6]C[6]N[6]H)(H)3	110.9370	0.000	1	110.9370	0.000	1	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	115.7690	0.000	1	115.7690	0.000	1	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.8423	1.398	3	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	114.6000	0.000	1	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	112.7620	0.000	1	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.0110	0.000	1	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	112.9060	0.000	1	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.0000	0.000	1	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.6643	1.139	13	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.5747	0.692	6	112.5144	1.263	27	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	111.7540	0.000	1	111.7540	0.000	1	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.1080	0.000	1	113.1080	0.000	1	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.7760	0.000	1	112.8953	0.019	4	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	113.0260	0.000	1	112.8953	0.019	4	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.8895	0.161	2	112.8953	0.019	4	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	108.4350	0.000	1	108.4350	0.000	1	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]N[6]H)(H)3	112.8840	0.000	1	113.4551	0.282	9	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.7400	0.545	4	113.4551	0.282	9	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]N[6]H)(H)3	113.5183	0.253	3	113.4551	0.282	9	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(H)3	112.6970	0.000	1	113.4551	0.282	9	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(H)3	113.7365	0.070	2	113.7365	0.005	2	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.5570	0.000	1	111.5570	0.000	1	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	112.5220	0.000	1	112.5220	0.000	1	112.6964	1.597	49	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6]Re)(CH3)(H)	C[6](C[6]O[6]CH)2(H)2	C(C[6]C[6]O[6]H)(H)3	C[6](C[6]C[6]HH)(O[6]C[6]Re)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CH)2(H)2{1|Re<6>,1|C<4>}	C(C[6]C[6]O[6]H)(H)3	113.4500	0.000	1	113.4500	0.000	1	113.4500	0.000	1	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	C(C[6]C[6]S[6]H)(H)3	111.9250	0.000	1	111.9250	0.000	1	112.3467	0.153	3	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H)	C[6](C[6]S[6]CH)2(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]C[6]HH)(S[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]S[6]CH)2(H)2{1|C<3>,1|O<1>}	C(C[6]C[6]S[6]H)(H)3	112.5575	0.199	2	112.5575	0.039	2	112.3467	0.153	3	112.3147	1.738	107	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:Br-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2Br)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CHHO)(Br){1|C<3>,2|C<4>}	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2Br)(OC)(H)2	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(OH)(H)2	111.2595	0.288	2	111.2595	0.083	2	111.2595	0.083	2	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]2H)(OC)(H)2	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	112.9325	0.798	2	112.9325	0.637	2	112.9325	0.637	2	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CN)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CN)(H)2	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	111.9190	0.057	2	111.9190	0.003	2	113.2113	6.411	7	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	109.9340	0.000	1	109.9340	0.000	1	113.2113	6.411	7	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OS)(H)2	116.5265	0.797	2	114.6767	5.265	4	113.2113	6.411	7	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OS)(H)2	111.9690	0.000	1	114.6767	5.265	4	113.2113	6.411	7	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OS)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OS)(H)2	113.6850	0.000	1	114.6767	5.265	4	113.2113	6.411	7	112.4964	5.013	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CC)(OC)(H)	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2H)(CNO)(H)2	111.1220	0.000	1	111.1220	0.000	1	112.0493	1.324	3	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(CCHH)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.6890	0.000	1	111.6890	0.000	1	112.0493	1.324	3	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(CCHH)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	113.3370	0.000	1	113.3370	0.000	1	112.0493	1.324	3	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCC)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCC)(H)2	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B[5]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H){1|C<4>,2|H<1>,2|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	113.6210	0.000	1	113.6210	0.000	1	111.8505	4.060	8	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	110.8100	0.000	1	110.8100	0.000	1	111.8505	4.060	8	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]N)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]N)(H)2	109.8700	0.000	2	109.8700	0.000	2	111.8505	4.060	8	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2H)(COO)(H)2	111.6040	0.000	1	111.6040	0.000	1	111.8505	4.060	8	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	111.9460	0.000	1	111.9460	0.000	1	111.8505	4.060	8	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	111.2430	0.000	1	111.2430	0.000	1	111.8505	4.060	8	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(CNO)(H)2	115.8400	0.000	1	115.8400	0.000	1	111.8505	4.060	8	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H)	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]S[6]HH)(C[6]C[6]F)(CHHN)(H){1|C<4>,1|H<1>,2|O<1>}	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|F<1>,2|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	113.5670	0.000	1	113.5670	0.000	1	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CNO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	112.5020	0.000	1	112.5020	0.000	1	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	111.2295	0.450	2	111.2295	0.203	2	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	115.0030	0.000	1	115.0030	0.000	1	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	113.9070	0.000	1	113.9070	0.000	1	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(CCO)(H)2	114.0040	0.000	1	114.2760	0.148	2	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|S<4>,3|C<4>}	C(C[6]C[6]N[6]H)(CCO)(H)2	114.5480	0.000	1	114.2760	0.148	2	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CHH)(H)2	123.4620	0.000	1	123.4620	0.000	1	114.3836	13.438	9	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	114.2040	0.000	1	113.1445	2.245	2	113.4027	0.837	4	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Si<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	112.0850	0.000	1	113.1445	2.245	2	113.4027	0.837	4	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	113.6440	0.000	1	113.6440	0.000	1	113.4027	0.837	4	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<2>,1|S<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	113.6780	0.000	1	113.6780	0.000	1	113.4027	0.837	4	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	112.8403	7.967	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6]O)(OC)(H)	112.3070	0.000	1	112.3070	0.000	1	111.2130	2.394	2	113.0962	3.222	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(OH)(H)	110.1190	0.000	1	110.1190	0.000	1	111.2130	2.394	2	113.0962	3.222	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	115.5520	0.000	1	115.5520	0.000	1	114.0378	1.025	4	113.0962	3.222	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	113.5330	0.097	3	113.5330	0.009	3	114.0378	1.025	4	113.0962	3.222	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CHH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	C(C[6]C[6]2H)(CHH)(COO)(H)	112.7940	0.000	1	112.7940	0.000	1	112.7940	0.000	1	112.8967	0.036	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NC[6a]H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(COO)(H)	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	112.8967	0.036	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	112.8967	0.036	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(COO)(OH)	113.1170	0.240	2	113.1170	0.058	2	113.3393	0.177	3	113.3393	0.177	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(COO)(OH)	113.7840	0.000	1	113.7840	0.000	1	113.3393	0.177	3	113.3393	0.177	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	116.2440	0.000	1	116.2440	0.000	1	116.2440	0.000	1	117.5965	3.659	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	118.9490	0.000	1	118.9490	0.000	1	118.9490	0.000	1	117.5965	3.659	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:3:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]2O[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	114.2860	0.000	1	114.2860	0.000	1	112.2460	7.967	5	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.9920	0.000	1	112.9920	0.000	1	112.2460	7.967	5	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CHHN)(H)2	107.4700	0.000	1	107.4700	0.000	1	112.2460	7.967	5	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHOO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CHOO)(H)2	112.1550	0.000	1	112.1550	0.000	1	112.2460	7.967	5	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	114.3270	0.000	1	114.3270	0.000	1	112.2460	7.967	5	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CBHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CBHH)(H)2	114.7590	0.000	1	114.7590	0.000	1	114.1345	1.574	8	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CC[5]HH)(H)2	112.5280	0.000	1	112.5280	0.000	1	114.1345	1.574	8	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0010	0.000	1	113.0010	0.000	1	114.1345	1.574	8	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.2435	0.284	2	113.8290	0.556	3	114.1345	1.574	8	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0000	0.000	1	113.8290	0.556	3	114.1345	1.574	8	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|O<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.6505	0.880	2	115.6505	0.775	2	114.1345	1.574	8	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:In-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(InIIP)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CInHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(InIIP)(H)2	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(NCHH)(H)2	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Ru)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PRuCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Ru)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ru<5>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(PRuCC)(H)2	110.1615	0.670	2	110.1615	0.448	2	110.1615	0.448	2	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HI)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	114.3420	0.000	1	114.3420	0.000	1	114.9030	0.629	2	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	115.4640	0.000	1	115.4640	0.000	1	114.9030	0.629	2	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(Br)(H){1|C<3>,1|S<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>}	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	113.4755	0.750	2	113.4755	0.563	2	113.4755	0.563	2	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	115.3005	0.260	2	115.3005	0.067	2	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	111.8640	0.000	2	111.8640	0.000	2	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	113.5350	0.000	1	113.8745	0.231	2	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	114.2140	0.000	1	113.8745	0.231	2	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CHHO)(H)2	110.2260	0.000	1	110.2260	0.000	1	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	110.1190	0.000	1	110.1190	0.000	1	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	118.9940	0.000	1	118.9940	0.000	1	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	113.1530	0.000	1	113.1530	0.000	1	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	113.5660	0.626	2	113.5660	0.392	2	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	114.2780	0.000	1	114.2780	0.000	1	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	114.7130	0.000	1	114.7130	0.000	1	113.6209	5.165	14	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	114.2310	0.000	1	114.2310	0.000	1	114.2310	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NCCH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(NCCH)(H)2	109.9330	0.957	2	109.9330	0.917	2	109.9330	0.917	2	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	112.9333	5.567	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHN)(OH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHN)(OH)(H)	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCCH)(OSi)(H)	111.8100	0.000	1	111.8100	0.000	1	112.9506	1.451	5	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	112.3290	0.000	1	112.3290	0.000	1	112.9506	1.451	5	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	112.9190	0.000	1	112.9190	0.000	1	112.9506	1.451	5	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	112.7280	0.000	1	112.7280	0.000	1	112.9506	1.451	5	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CF3)(OC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CF3)(OC)(H)	114.9670	0.000	1	114.9670	0.000	1	112.9506	1.451	5	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:S-2:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(SC)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHS)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(CCHH)(SC)(H)	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:C-2:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H)	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(Br)(H){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	110.6240	1.058	2	110.6240	1.119	2	110.6240	1.119	2	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	110.2410	0.000	1	110.2410	0.000	1	112.5513	7.195	3	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	115.4930	0.000	1	115.4930	0.000	1	112.5513	7.195	3	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	111.9200	0.000	1	111.9200	0.000	1	112.5513	7.195	3	112.6818	3.203	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CH3)(COO)(H)	113.3110	0.000	1	113.3110	0.000	1	113.3110	0.000	1	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2H)(CHHO)(COO)(H)	114.1540	0.000	1	114.1540	0.000	1	112.8060	0.610	7	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	113.2160	0.000	2	113.2160	0.000	2	112.8060	0.610	7	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CHHN)(CCH)(H)	112.5450	0.000	2	112.5450	0.000	2	112.8060	0.610	7	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	111.9830	0.123	2	111.9830	0.015	2	112.8060	0.610	7	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(NHS)(H)	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[4,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	119.4080	0.000	1	119.4080	0.000	1	119.4080	0.000	1	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	113.9620	0.000	1	113.9620	0.000	1	113.1410	1.348	2	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	112.3200	0.000	1	112.3200	0.000	1	113.1410	1.348	2	113.5225	3.962	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CF3)(COO)(OH)	115.6370	1.035	2	115.4754	1.051	5	115.4754	1.051	5	115.4754	1.051	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CF3)(COO)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CF3)(COO)(OH)	115.3677	1.234	3	115.4754	1.051	5	115.4754	1.051	5	115.4754	1.051	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:3:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(COO)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(COO)2	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	113.8785	1.300	2	113.8785	1.691	2	112.4080	7.333	3	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	109.4670	0.000	1	109.4670	0.000	1	112.4080	7.333	3	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.2840	1.083	2	113.2840	1.174	2	113.2840	1.174	2	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	115.4440	0.000	1	115.4440	0.000	1	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	113.5370	0.000	1	113.5370	0.000	1	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	114.5920	0.000	1	114.5920	0.000	1	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.0207	0.941	3	113.8517	0.704	4	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.3450	0.000	1	113.8517	0.704	4	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	114.9450	0.000	1	114.9450	0.000	1	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.4110	1.187	2	113.7480	0.716	4	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.7070	0.000	1	113.7480	0.716	4	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.4630	0.000	1	113.7480	0.716	4	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCH)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)2(H)	110.9030	0.000	1	110.9030	0.000	1	113.8323	1.448	13	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2{2|C<3>}	C(C[6]C[6]N[6]H)(CH3)2(H)	113.8870	0.374	3	113.8870	0.140	3	114.5580	1.179	7	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	113.4270	0.000	1	113.4270	0.000	1	114.5580	1.179	7	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	114.8550	0.000	1	114.8550	0.000	1	114.5580	1.179	7	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CH3)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	115.9815	0.148	2	115.9815	0.022	2	114.5580	1.179	7	113.8207	2.111	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CO)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	114.4762	2.230	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(CN)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(CC3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2H)(CH3)2(CN)	116.0030	0.000	2	116.0030	0.000	2	116.0030	0.000	2	114.4762	2.230	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	114.1530	0.000	1	114.1530	0.000	1	113.4015	1.130	2	114.4762	2.230	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	112.6500	0.000	1	112.6500	0.000	1	113.4015	1.130	2	114.4762	2.230	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	113.5920	3.102	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(NCH)	114.5980	0.362	2	114.5980	0.131	2	114.5980	0.131	2	113.5920	3.102	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]CC)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	116.6125	0.233	2	116.6125	0.054	2	116.6125	0.054	2	115.4615	0.960	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	115.3490	0.000	1	114.9480	0.322	2	115.0623	0.200	3	115.4615	0.960	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	114.5470	0.000	1	114.9480	0.322	2	115.0623	0.200	3	115.4615	0.960	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	115.2910	0.000	1	115.2910	0.000	1	115.0623	0.200	3	115.4615	0.960	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CH3)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)3	114.3570	0.000	1	114.3570	0.000	1	114.3570	0.000	1	115.4615	0.960	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	114.3930	0.550	2	114.3930	0.303	2	113.9062	1.628	13	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	111.8250	0.000	1	111.8250	0.000	1	113.9062	1.628	13	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.8270	0.000	1	113.8270	0.000	1	113.9062	1.628	13	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.4095	0.344	2	113.4095	0.119	2	113.9062	1.628	13	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	111.8590	0.000	1	114.2176	2.188	7	113.9062	1.628	13	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	114.6107	1.152	6	114.2176	2.188	7	113.9062	1.628	13	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(Cl)(H)2	108.9345	1.152	2	108.9345	1.327	2	108.9345	1.327	2	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]N[6]CH)(SC[6a])(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]N[6]H)(H)3	116.1275	0.562	2	116.1275	0.316	2	116.1275	0.316	2	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]N[6]H)(H)3	112.8860	0.000	1	112.8860	0.000	1	113.2895	0.326	2	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.6930	0.000	1	113.6930	0.000	1	113.2895	0.326	2	113.4046	3.266	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OC)(H)2	112.8320	0.000	1	112.8320	0.000	1	112.8320	0.000	1	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CCHH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CN)(H)2	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.9800	0.000	1	112.9800	0.000	1	111.7253	1.660	3	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.7900	0.000	1	111.7900	0.000	1	111.7253	1.660	3	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(OH)(H)2	110.4060	0.000	1	110.4060	0.000	1	111.7253	1.660	3	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	114.5700	1.591	2	114.5700	2.531	2	114.5700	2.531	2	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	112.6970	0.000	1	112.6970	0.000	1	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(OC)(H)2	111.5680	0.000	1	111.5680	0.000	1	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	109.8890	0.099	2	109.8890	0.010	2	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(OSi)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]N[6]H)(OSi)(H)2	107.6585	1.261	2	107.6585	1.590	2	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	111.2980	0.000	1	111.2980	0.000	1	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	109.1510	0.000	1	109.1510	0.000	1	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]N[6]H)(OC)(H)2	113.6810	0.000	1	113.6810	0.000	1	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H){1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	113.5925	0.056	2	113.5925	0.003	2	110.9705	5.373	11	111.4936	5.258	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	111.8944	1.047	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	112.7060	0.000	1	112.7060	0.000	1	112.0425	1.072	6	111.8944	1.047	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	113.0140	0.000	1	113.0140	0.000	1	112.0425	1.072	6	111.8944	1.047	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	111.4850	0.000	1	111.4850	0.000	1	112.0425	1.072	6	111.8944	1.047	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	110.2720	0.000	1	110.2720	0.000	1	112.0425	1.072	6	111.8944	1.047	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	112.7710	0.000	1	112.7710	0.000	1	112.0425	1.072	6	111.8944	1.047	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	C(C[6]C[6]N[6]H)(COO)(H)2	112.0070	0.000	1	112.0070	0.000	1	112.0425	1.072	6	111.8944	1.047	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	113.6470	0.000	1	113.6470	0.000	1	113.0155	0.798	2	113.7938	2.371	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.3840	0.000	1	112.3840	0.000	1	113.0155	0.798	2	113.7938	2.371	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	114.5720	1.973	2	114.5720	3.892	2	114.5720	3.892	2	113.7938	2.371	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CCHO)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	111.9477	0.328	4	111.9477	0.107	4	111.9477	0.107	4	112.3152	0.756	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	113.7850	0.000	1	113.7850	0.000	1	113.7850	0.000	1	112.3152	0.756	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:1:	4:4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	113.2965	1.486	2	113.2965	2.207	2	113.2965	2.207	2	113.2965	2.207	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:2:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C(C[5]C[5]2Fe)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]HH)(H){2|C<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2H)(H)2	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	111.3030	3.634	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:2:2:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	112.6510	0.000	1	112.6510	0.000	1	112.6510	0.000	1	111.3030	3.634	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	114.6898	0.346	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H){1|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	114.5470	0.570	4	114.5470	0.325	4	114.5470	0.325	4	114.6898	0.346	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CC[6a]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	115.1060	0.891	5	115.1060	0.793	5	115.1060	0.793	5	115.1060	0.793	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(CH3)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(H)3	114.9640	2.978	2	114.9640	8.870	2	114.9640	8.870	2	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H){1|C<3>,1|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	114.1380	0.000	1	114.1380	0.000	1	114.8947	0.571	11	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.4840	0.000	2	114.4840	0.000	2	114.8947	0.571	11	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.8987	0.697	6	115.0920	0.641	8	114.8947	0.571	11	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	115.6720	1.078	2	115.0920	0.641	8	114.8947	0.571	11	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:B[5]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]B[5]C[6]H)(C[6]C[6]O)(CH3)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(B[5]O[5]2)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	110.7120	0.000	1	110.7120	0.000	1	111.6046	1.253	10	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)2(CCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3110	0.000	1	111.3110	0.000	1	111.6046	1.253	10	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(CNO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CNO)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1050	0.000	1	112.1050	0.000	1	111.6046	1.253	10	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4760	0.000	1	111.1734	1.281	5	111.6046	1.253	10	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.0978	1.292	4	111.1734	1.281	5	111.6046	1.253	10	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.0255	0.218	2	113.0255	0.048	2	111.6046	1.253	10	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]O)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	113.4661	3.675	25	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(OC)(H)2	110.7730	0.000	1	110.3870	0.298	2	110.3870	0.298	2	112.1382	7.044	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	110.0010	0.000	1	110.3870	0.298	2	110.3870	0.298	2	112.1382	7.044	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	112.1382	7.044	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	112.1382	7.044	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	C(C[6]C[6]2H)(CC[3]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2H)(CC[3]HH)(H)2	112.2210	0.000	1	112.2210	0.000	1	112.6030	1.328	3	111.5521	4.555	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	111.6900	0.000	1	111.6900	0.000	1	112.6030	1.328	3	111.5521	4.555	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	113.8980	0.000	1	113.8980	0.000	1	112.6030	1.328	3	111.5521	4.555	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6]HH)(H){2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	108.5940	0.177	2	108.5940	0.031	2	110.7640	6.291	4	111.5521	4.555	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	112.9900	0.000	1	112.9900	0.000	1	110.7640	6.291	4	111.5521	4.555	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2Cr)(C[6]C[6]2H)(H)2	112.8780	0.000	1	112.8780	0.000	1	110.7640	6.291	4	111.5521	4.555	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCCH)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	115.3895	3.233	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.4355	2.457	2	114.4355	6.038	2	115.0373	4.106	3	115.3895	3.233	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	116.2410	0.000	1	116.2410	0.000	1	115.0373	4.106	3	115.3895	3.233	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:3:4:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2H)(OC)(H)2	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	115.0650	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.7430	0.875	2	114.7430	0.766	2	114.7430	0.766	2	113.2278	12.759	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	115.4760	0.000	1	115.4760	0.000	1	115.4760	0.000	1	113.2278	12.759	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HP)(C[6]C[6]C)(CC[6a]HH)(H){1|B<4>,4|H<1>}	C[6](C[6]B[6]HH)(C[6]C[6]CH)(PC[6a]3)(H){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	113.2278	12.759	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	113.3633	0.669	3	113.3633	0.447	3	113.3633	0.447	3	113.3633	0.447	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	114.1165	13.256	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]2H)(C[6]O[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	111.5420	0.000	1	111.5420	0.000	1	111.5420	0.000	1	114.1165	13.256	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.0290	0.000	1	114.0290	0.000	1	114.0290	0.000	1	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	114.8640	0.000	1	114.8640	0.000	1	114.3736	0.755	8	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	115.1500	0.000	1	114.6298	0.108	6	114.3736	0.755	8	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.5258	0.233	5	114.6298	0.108	6	114.3736	0.755	8	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3460	0.000	1	112.3460	0.000	1	114.3736	0.755	8	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	112.7750	0.000	1	112.7750	0.000	1	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.8135	0.221	2	113.8135	0.049	2	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	C(C[6]C[6]2H)(H)3	114.6280	0.000	1	114.6280	0.000	1	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	115.8490	0.000	1	115.8490	0.000	1	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	113.9946	1.637	5	113.9946	2.680	5	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(CHHO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.9170	0.000	1	113.9170	0.000	1	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	115.4600	0.000	1	115.4600	0.000	1	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C[6](C[6]C[6]CH)2(CHHI)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	115.4300	0.000	1	115.4300	0.000	1	114.2815	1.609	13	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.2820	0.000	1	109.5885	0.188	2	109.5885	0.188	2	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	109.8950	0.000	1	109.5885	0.188	2	109.5885	0.188	2	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	114.9045	0.293	2	114.9045	0.086	2	114.9045	0.086	2	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	115.4730	0.000	1	115.4730	0.000	1	114.0535	3.874	4	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	114.8930	0.000	1	114.8930	0.000	1	114.0535	3.874	4	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H){1|S<4>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	112.9240	2.520	2	112.9240	6.351	2	114.0535	3.874	4	113.9959	2.731	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	113.0545	0.059	2	113.0545	0.003	2	113.0545	0.003	2	114.2198	2.065	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]O)(CHHO)(H){3|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|N<4>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(OC)(H)2	116.0020	0.000	1	116.0020	0.000	1	116.0020	0.000	1	114.2198	2.065	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.2198	2.065	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3x6]C[6,6]2O[6,6])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	114.1381	1.337	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	113.1940	0.000	1	113.1940	0.000	1	113.1940	0.000	1	114.1381	1.337	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CC[5]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C(C[6]C[6]2H)(CC[5]O)(H)2	114.8560	0.007	4	114.8560	0.000	4	114.8560	0.000	4	114.1381	1.337	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	114.1381	1.337	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CCH)(H)2	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	114.1381	1.337	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H){1|C<4>,1|S<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	114.1381	1.337	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	115.9050	0.000	1	115.9050	0.000	1	115.9050	0.000	1	114.1381	1.337	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCC)(OSi)(H)	112.5320	0.000	1	114.0420	4.560	2	114.0420	4.560	2	114.0420	4.560	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:3:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCC)(OSi)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CCC)(OSi)(H)	115.5520	0.000	1	114.0420	4.560	2	114.0420	4.560	2	114.0420	4.560	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.3600	0.000	1	115.3600	0.000	1	115.3600	0.000	1	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(CC[3]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	115.1920	0.000	2	115.1920	0.000	2	115.1920	0.000	2	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6,6]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6,6]HH)(C[5]S[5]2C)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.8710	0.000	1	112.8710	0.000	1	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0680	1.422	3	113.0680	2.022	3	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.8960	0.865	2	113.8960	0.749	2	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.2490	0.000	1	115.1650	0.014	2	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.0810	0.000	1	115.1650	0.014	2	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	114.5195	0.244	2	114.3433	0.123	3	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	113.9910	0.000	1	114.3433	0.123	3	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	116.4150	0.000	1	116.4150	0.000	1	114.1368	1.603	12	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C(C[6]C[6]2H)2(H)2	114.8580	0.000	2	114.7533	0.033	3	114.7533	0.033	3	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]2H)(C[6]C[6]O)(CC[6]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)2(H)2	114.5440	0.000	1	114.7533	0.033	3	114.7533	0.033	3	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	114.2204	1.672	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(CC3)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2H)(CC3)(OH)(H)	110.0255	0.078	2	110.0255	0.006	2	111.0260	1.343	6	111.1066	1.164	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	112.6460	0.000	1	112.6460	0.000	1	111.0260	1.343	6	111.1066	1.164	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	111.7080	0.429	2	111.7080	0.184	2	111.0260	1.343	6	111.1066	1.164	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	110.0430	0.000	1	110.0430	0.000	1	111.0260	1.343	6	111.1066	1.164	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCHH)(OH)(H)	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.1066	1.164	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	116.9385	5.858	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	118.6500	0.000	1	118.6500	0.000	1	118.6500	0.000	1	116.9385	5.858	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	115.8710	0.000	1	115.8710	0.000	1	114.4625	1.628	4	114.4625	1.628	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.5700	0.491	2	114.5700	0.241	2	114.4625	1.628	4	114.4625	1.628	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	112.8390	0.000	1	112.8390	0.000	1	114.4625	1.628	4	114.4625	1.628	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	3:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[5]O)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	117.5170	0.000	1	117.5170	0.000	1	117.5170	0.000	1	114.7787	5.756	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(H)3	113.0460	0.000	1	113.4095	0.264	2	113.4095	0.264	2	114.7787	5.756	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.7730	0.000	1	113.4095	0.264	2	113.4095	0.264	2	114.7787	5.756	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.0660	0.000	1	114.0660	0.000	1	114.4940	0.582	3	114.4940	0.582	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	114.0410	0.000	1	114.0410	0.000	1	114.4940	0.582	3	114.4940	0.582	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.3750	0.000	1	115.3750	0.000	1	114.4940	0.582	3	114.4940	0.582	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:2:	4:4:4:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.6000	0.211	2	114.6000	0.044	2	114.6000	0.044	2	114.6000	0.044	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:3:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO)	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<1>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2H)(H)2	113.2280	0.000	1	113.2280	0.000	1	113.2280	0.000	1	114.2515	2.095	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:3:	3:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	114.2515	2.095	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:3:	3:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[5a]-3:C[6]-4:N-2:H-1:	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	114.5473	3.281	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	115.2820	0.000	1	115.2820	0.000	1	115.5790	0.176	2	114.5473	3.281	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CP)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	115.8760	0.000	1	115.8760	0.000	1	115.5790	0.176	2	114.5473	3.281	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	3:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	116.1470	0.000	1	116.1470	0.000	1	115.3727	0.457	3	115.3810	0.305	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	114.9855	0.124	2	114.9855	0.015	2	115.3727	0.457	3	115.3810	0.305	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.3810	0.305	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	116.0315	2.940	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:S-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]SS)(C[6]C[6]H)(CCHH)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	117.2440	0.000	1	117.2440	0.000	1	117.2440	0.000	1	116.0315	2.940	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.7220	0.000	1	113.7220	0.000	1	116.2045	12.326	2	116.6201	6.763	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	118.6870	0.000	1	118.6870	0.000	1	116.2045	12.326	2	116.6201	6.763	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)2(H)2	116.6425	3.688	2	116.6425	13.598	2	117.7420	7.642	4	116.6201	6.763	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)2(H)2	117.3430	0.000	1	117.3430	0.000	1	117.7420	7.642	4	116.6201	6.763	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2H)2(H)2	120.3400	0.000	1	120.3400	0.000	1	117.7420	7.642	4	116.6201	6.763	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	114.7920	0.153	2	114.7920	0.023	2	114.7920	0.023	2	116.6201	6.763	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	123.0480	0.000	2	123.0480	0.000	2	123.0480	0.000	2	118.1944	20.654	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:2:1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)2(OC)(H)	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	118.1944	20.654	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:1:	4:4:4:4:	4:4:2:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	115.7670	0.413	2	115.7670	0.171	2	115.7670	0.171	2	118.1944	20.654	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.5940	0.854	2	111.4263	0.449	3	111.4263	0.449	3	111.4263	0.449	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.0910	0.000	1	111.4263	0.449	3	111.4263	0.449	3	111.4263	0.449	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	112.5747	0.521	4	112.5700	0.204	5	112.5700	0.204	5	112.5700	0.204	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	112.5510	0.000	1	112.5700	0.204	5	112.5700	0.204	5	112.5700	0.204	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:2:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H)	C(C[6]C[6]N[6]C)(CHHS)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(CHHS)(H)2	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CC[6a]HH)(NC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2O)(H)3	110.8935	0.006	2	110.8935	0.000	2	110.8935	0.000	2	110.8935	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	112.2233	0.851	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	112.2233	0.851	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	112.2233	0.851	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C(C[6]C[6]2O)(SC[6a]OO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2O)(SC[6a]OO)(H)2	113.5345	0.598	2	113.5345	0.357	2	113.5345	0.357	2	112.8713	1.498	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	3:4:4:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C(C[6]C[6]N[6]C)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(CCHH)(H)2	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	112.8713	1.498	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2O)(H)3	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	110.7125	0.155	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H)	C(C[6]C[6]N[6]O)(H)3	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]O)(H)3	110.4340	0.000	1	110.4340	0.000	1	110.4340	0.000	1	110.7125	0.155	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH){1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	113.1650	2.303	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2O)(H)3	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	113.1650	2.303	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	112.9500	0.000	1	112.9500	0.000	1	112.9500	0.000	1	113.4380	0.476	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	113.4380	0.476	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2N)(H)3	112.1360	0.000	1	112.1360	0.000	1	111.4880	0.327	3	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NS){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2N)(H)3	111.1640	0.153	2	111.1640	0.023	2	111.4880	0.327	3	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	111.3090	0.000	1	111.3090	0.000	1	111.5800	0.147	2	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	111.8510	0.000	1	111.8510	0.000	1	111.5800	0.147	2	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.4580	0.195	7	110.4580	0.038	7	110.4301	0.147	11	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	C[6](C[6]C[6]CO)2(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)2(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.3080	0.436	2	110.3080	0.190	2	110.4301	0.147	11	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	110.4545	1.009	2	110.4545	1.018	2	110.4301	0.147	11	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2{2|H<1>,4|C<4>}	C(C[6]C[6]N[6]C)(H)3	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2	C(C[6]C[6]N[6]O)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]N[6]O)(H)3	112.8060	0.000	1	112.8060	0.000	1	112.7480	0.106	3	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	C[6](C[6]N[6]CO)2(H)2	C(C[6]C[6]N[6]O)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]CO)2(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]N[6]O)(H)3	112.7190	0.454	2	112.7190	0.206	2	112.7480	0.106	3	110.9668	1.142	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(COO)(H)2	111.0270	0.000	1	111.0270	0.000	1	111.0270	0.000	1	111.1095	0.014	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(NHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(NHH)(H)2	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1095	0.014	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	110.4870	0.000	1	110.4870	0.000	1	113.0287	4.904	3	112.8077	3.465	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH)	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CC[4]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH){1|H<1>,3|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[4]HH)(H)2	114.5430	0.000	1	114.5430	0.000	1	113.0287	4.904	3	112.8077	3.465	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	114.0560	0.000	1	114.0560	0.000	1	113.0287	4.904	3	112.8077	3.465	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2	C(C[6]C[6]N[6]O)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]N[6]O)(CCHH)(H)2	112.1450	0.000	1	112.1450	0.000	1	112.1450	0.000	1	112.8077	3.465	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH3)2(OH)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CH3)2(OH)	113.2840	0.000	1	113.2840	0.000	1	113.2840	0.000	1	113.2840	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.9213	1.312	3	111.9213	1.723	3	111.8047	1.203	4	111.7568	0.914	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2O)(H)3	111.4550	0.000	1	111.4550	0.000	1	111.8047	1.203	4	111.7568	0.914	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:S-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)(SC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2S)(H)3	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	111.7568	0.914	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	114.6560	0.000	1	114.6560	0.000	1	113.3800	3.256	2	113.3800	3.256	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(OC)(H)2	112.1040	0.000	1	112.1040	0.000	1	113.3800	3.256	2	113.3800	3.256	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(CCH)(H)2	113.4460	0.383	2	113.4460	0.147	2	113.4460	0.147	2	113.4460	0.147	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	114.2428	0.576	5	114.2428	0.331	5	114.2428	0.331	5	111.2609	3.634	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[5a]O)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]O)(F)3	110.0912	0.941	6	110.0912	0.885	6	110.2669	0.603	15	111.2609	3.634	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(CC[6a]O)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]O)(F)3	109.5615	0.134	2	109.5615	0.018	2	110.2669	0.603	15	111.2609	3.634	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]O)(F)3	110.6577	0.744	4	110.6191	0.324	7	110.2669	0.603	15	111.2609	3.634	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H)	C(C[6]C[6]N[6]O)(F)3	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(COO)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]O)(F)3	110.5677	0.365	3	110.6191	0.324	7	110.2669	0.603	15	111.2609	3.634	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O[6]H)(C[6]C[6]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	115.9920	0.000	1	115.9920	0.000	1	115.9920	0.000	1	115.9920	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2O)(CH3)(H)2	113.5150	0.000	1	113.5150	0.000	1	113.5150	0.000	1	113.5150	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2O)(H)3	114.2747	0.194	4	114.2747	0.038	4	114.3299	0.044	7	114.3697	0.070	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2O)(H)3	114.4033	0.251	3	114.4033	0.063	3	114.3299	0.044	7	114.3697	0.070	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2O)(H)3	114.1590	0.000	1	114.1590	0.000	1	114.5090	0.245	2	114.3697	0.070	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2O)(H)3	114.8590	0.000	1	114.8590	0.000	1	114.5090	0.245	2	114.3697	0.070	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:2:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2O)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2O)(CC[6]HH)(H)2	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:2:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CCHH)(COO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	110.8770	1.161	2	110.8770	1.348	2	110.8770	1.348	2	110.8770	1.348	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	110.9525	9.688	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	108.7050	0.000	1	108.7050	0.000	1	111.9787	8.214	3	110.9525	9.688	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	113.6155	0.593	2	113.6155	0.352	2	111.9787	8.214	3	110.9525	9.688	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6]C[6]2N)(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C(C[6]C[6]2N)(CCHH)(H)2	108.0200	0.000	1	108.0200	0.000	1	110.2750	10.170	2	110.2750	10.170	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2N)(CH3)(H)2	112.5300	0.000	1	112.5300	0.000	1	110.2750	10.170	2	110.2750	10.170	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:3:4:3:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-3:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(CNO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	112.1565	1.958	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2N)(H)3	113.1460	0.000	1	113.1460	0.000	1	113.1460	0.000	1	112.1565	1.958	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(CH3)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.5170	0.349	2	110.5170	0.122	2	110.5170	0.122	2	111.3770	2.280	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2N)(H)3	113.0970	0.000	1	113.0970	0.000	1	113.0970	0.000	1	111.3770	2.280	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	110.9360	1.015	2	110.9360	1.031	2	110.9360	1.031	2	110.8190	0.557	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	110.8190	0.557	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:3:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	109.7160	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:3:3:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	111.3305	0.766	2	111.3305	0.586	2	111.3305	0.586	2	111.3305	0.586	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	113.5650	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:2:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(CNO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	109.2777	0.868	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2N)(H)3	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	109.2777	0.868	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	109.2777	0.868	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]2N)(H)3	114.2130	1.945	2	114.2130	3.781	2	113.3087	4.344	3	113.3087	4.344	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	111.5000	0.000	1	111.5000	0.000	1	113.3087	4.344	3	113.3087	4.344	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	112.5990	0.481	2	112.5990	0.231	2	112.5990	0.231	2	112.2783	0.424	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	112.2783	0.424	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	112.0410	5.544	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	112.0410	5.544	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO){2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.0397	0.483	3	110.0397	0.233	3	109.5088	0.650	5	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)(COO){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.7125	0.149	2	108.7125	0.022	2	109.5088	0.650	5	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	109.0795	0.243	2	109.0795	0.059	2	109.6710	0.573	5	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]2C)(H)3	109.3380	0.000	1	109.3380	0.000	1	109.6710	0.573	5	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.7980	0.000	1	110.7980	0.000	1	109.6710	0.573	5	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.0600	0.000	1	110.0600	0.000	1	109.6710	0.573	5	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(CCO){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.9590	0.000	1	110.9590	0.000	1	110.4369	0.494	10	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.2210	0.000	1	111.2210	0.000	1	110.4369	0.494	10	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(CNO){1|N<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2C)(H)3	110.7170	0.000	1	110.7170	0.000	1	110.4369	0.494	10	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2C)(H)3	109.7880	0.337	2	109.7880	0.113	2	110.4369	0.494	10	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8935	0.722	2	109.8935	0.521	2	110.4369	0.494	10	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6470	0.000	1	110.6470	0.000	1	110.4369	0.494	10	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)(COO){1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.7310	1.092	2	110.7310	1.192	2	110.4369	0.494	10	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2N)(H)3	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO)	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	112.6710	0.000	1	112.6710	0.000	1	111.6740	1.988	2	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.6770	0.000	1	110.6770	0.000	1	111.6740	1.988	2	110.2277	1.001	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CCHH)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	111.0120	0.000	1	111.6440	0.799	2	111.8434	1.097	5	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(CCH)(H)2	112.2760	0.000	1	111.6440	0.799	2	111.8434	1.097	5	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	112.1380	0.000	1	112.1380	0.000	1	111.8434	1.097	5	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	113.2030	0.000	1	113.2030	0.000	1	111.8434	1.097	5	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)(COO){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CC[6a]O)(H)2	110.5880	0.000	1	110.5880	0.000	1	111.8434	1.097	5	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(CHHN)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	105.3660	0.000	1	105.3660	0.000	1	105.3660	0.000	1	110.4315	6.115	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.8720	0.000	1	110.7060	1.391	2	111.5677	2.923	3	111.9342	1.733	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C(C[6]C[6]2C)(CCHH)(H)2	111.5400	0.000	1	110.7060	1.391	2	111.5677	2.923	3	111.9342	1.733	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(COO){1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(CC[6a]HH)(H)2	113.2910	0.000	1	113.2910	0.000	1	111.5677	2.923	3	111.9342	1.733	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	112.2870	0.000	1	112.2870	0.000	1	112.4840	0.078	2	111.9342	1.733	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	112.6810	0.000	1	112.6810	0.000	1	112.4840	0.078	2	111.9342	1.733	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CC[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	111.6747	7.967	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	114.3750	0.000	1	114.3750	0.000	1	114.3750	0.000	1	111.6747	7.967	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:3:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	111.6747	7.967	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.1460	0.911	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	111.1460	0.911	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.2060	0.085	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	112.2060	0.085	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	112.1810	0.000	1	112.1810	0.000	1	112.1810	0.000	1	112.2060	0.085	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:3:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	114.3890	0.000	1	114.3890	0.000	1	114.3890	0.000	1	114.3890	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CH3)2{1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	111.2180	0.882	2	111.2180	0.779	2	111.2180	0.779	2	111.2950	0.407	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6]2C)(H)3	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.2950	0.407	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(CH3){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.6862	1.288	6	109.6862	1.659	6	109.6862	1.659	6	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	108.8268	0.343	12	108.8268	0.118	12	108.8268	0.118	12	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{1|C<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	111.1355	1.059	2	110.7022	0.755	4	110.7022	0.755	4	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2{3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	110.2690	0.628	2	110.7022	0.755	4	110.7022	0.755	4	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	109.5400	1.826	2	109.5400	3.333	2	109.5400	3.333	2	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6]N[6]C)(F)3	106.8115	1.493	2	106.8115	2.228	2	106.8115	2.228	2	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	109.7045	2.493	2	109.7045	6.213	2	110.8992	2.066	16	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	111.1038	1.085	8	111.0794	0.978	10	110.8992	2.066	16	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	110.9820	0.735	2	111.0794	0.978	10	110.8992	2.066	16	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	110.8680	2.826	2	111.0463	4.237	4	110.8992	2.066	16	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	111.2245	2.145	2	111.0463	4.237	4	110.8992	2.066	16	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	110.2415	0.285	2	110.2415	0.081	2	110.2415	0.081	2	109.8190	2.420	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	109.0130	0.000	1	109.0130	0.000	1	109.0105	0.000	2	109.0105	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCHH)2{1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(CH3)(H)2	109.0080	0.000	1	109.0080	0.000	1	109.0105	0.000	2	109.0105	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:2:2:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH){3|C<3>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.9460	0.153	2	111.9460	0.023	2	111.9460	0.023	2	111.9460	0.023	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CH3)2{1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.6760	1.997	2	110.6760	3.987	2	110.6760	3.987	2	110.1917	1.726	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4915	2.225	2	110.4915	4.952	2	110.2358	1.564	32	110.1917	1.726	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.0042	1.211	22	110.0042	1.467	22	110.2358	1.564	32	110.1917	1.726	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.9792	1.158	6	110.9792	1.341	6	110.2358	1.564	32	110.1917	1.726	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2975	1.180	2	110.2975	1.393	2	110.2358	1.564	32	110.1917	1.726	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	110.1917	1.726	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	3:4:4:1:	4:3:1:1:	C[6]-4:C[6]-3:C-4:S-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C(C[6]C[6]2S)(CCH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2S)(CCH)(H)2	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	108.8550	0.639	2	108.8550	0.409	2	108.8550	0.409	2	109.0250	2.357	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]N[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]N[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	109.0817	1.790	6	109.0817	3.203	6	109.0817	3.203	6	109.0250	2.357	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:2:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]N[6]C)(NCC)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2{1|C<3>,2|H<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	C(C[6]C[6]N[6]C)(NCC)(H)2	107.6732	2.762	4	107.6732	7.626	4	107.6732	7.626	4	107.6732	7.626	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.1690	0.858	2	110.1690	0.737	2	110.1690	0.737	2	110.1690	0.737	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<3>,2|O<1>}	C(C[6]C[6]2C)(H)3	110.4720	2.253	4	110.4720	5.077	4	110.4720	5.077	4	110.4720	5.077	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	C(C[6]C[6]2C)(H)3	108.2715	1.282	2	108.2715	1.643	2	109.7520	1.197	14	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.8160	1.645	2	109.8160	2.705	2	109.7520	1.197	14	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	109.7043	0.770	4	109.7043	0.594	4	109.7520	1.197	14	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	109.4395	0.455	2	109.4395	0.207	2	109.7520	1.197	14	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.3130	0.027	2	110.3130	0.001	2	109.7520	1.197	14	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	111.0155	0.900	2	111.0155	0.810	2	109.7520	1.197	14	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C(C[6]C[6]2C)(H)2(I)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHHI)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)2(I)	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.5387	1.424	4	110.5387	2.028	4	110.7743	2.462	6	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	111.2455	2.358	2	111.2455	5.561	2	110.7743	2.462	6	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.7310	1.001	2	110.7310	1.003	2	110.0192	0.928	28	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.1150	0.417	4	109.6988	0.218	12	110.0192	0.928	28	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.4906	0.345	8	109.6988	0.218	12	110.0192	0.928	28	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	110.5920	1.588	2	110.5920	2.522	2	110.0192	0.928	28	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.4384	1.189	8	110.1255	1.465	12	110.0192	0.928	28	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.4998	1.135	4	110.1255	1.465	12	110.0192	0.928	28	109.9240	1.488	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	110.7527	7.843	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(NCuCH)(H)2	111.2865	3.738	2	111.2865	13.976	2	111.2865	13.976	2	110.7527	7.843	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6750	0.052	2	109.6750	0.003	2	109.6750	0.003	2	109.6750	0.003	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]N[6]HO)(C[6]N[6]O)(CCHH)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2C)(CCHH)(H)2	110.2180	1.394	2	110.2180	1.944	2	110.2180	1.944	2	110.2180	1.944	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CH3)2{1|C<4>,1|S<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<2>,5|H<1>,6|C<3>}	C(C[6]C[6]2C)(H)3	111.0230	4.848	2	111.0230	23.502	2	111.0230	23.502	2	111.0022	6.602	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3455	0.651	2	110.3455	0.424	2	110.3455	0.424	2	111.0022	6.602	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H){1|H<1>,5|C<3>}	C(C[6]C[6a]C[6]2)(H)3	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	111.0022	6.602	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.9795	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:Si-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3)	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]HH)(SiC3){2|C<3>,2|H<1>}	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2Si)(H)2	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	110.9795	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	109.7320	4.481	3	109.7320	20.081	3	109.7320	20.081	3	109.7320	20.081	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6]C[3]C[6]2)(H)3	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[3]C[6]2)(H)3	109.4848	0.262	4	109.4848	0.069	4	109.4848	0.069	4	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]C[5]2Re)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2{1|Re<8>,1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[5]C[6]2)(H)3	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[5a]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5a]N[5a]S[5a])(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[5a]C[6])(H)3	110.4350	0.337	2	110.4350	0.113	2	110.4350	0.113	2	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,1|N<2>,2|N<3>}	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	108.4075	2.454	2	108.4075	6.024	2	109.3713	4.436	4	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C(C[6]C[6]2C)(H)3	110.3350	1.889	2	110.3350	3.570	2	109.3713	4.436	4	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)2{1|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.0730	1.271	2	110.0730	1.616	2	109.8387	3.785	14	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,3|O<1>}	C(C[6]C[6]2C)(H)3	109.5463	1.020	4	109.5463	1.040	4	109.8387	3.785	14	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.9477	2.644	4	108.9477	6.993	4	109.8387	3.785	14	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4715	3.384	2	110.4715	11.448	2	109.8387	3.785	14	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]2C)(H)3	111.3385	1.764	2	111.3385	3.113	2	109.8387	3.785	14	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2C)(H)3	109.7610	0.000	1	109.4655	0.175	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.1700	0.000	1	109.4655	0.175	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	108.1570	0.000	1	108.1570	0.000	1	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	104.1350	0.000	1	104.1350	0.000	1	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.0200	2.618	2	108.5663	4.440	36	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.1975	3.361	2	108.5663	4.440	36	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	108.1860	3.882	2	108.5663	4.440	36	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.6505	2.812	2	108.5663	4.440	36	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.7970	2.046	20	108.5663	4.440	36	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	107.7925	1.977	8	108.5663	4.440	36	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	109.7105	1.787	4	109.4150	1.800	18	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3306	1.258	14	109.4150	1.800	18	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4792	1.311	9	110.4792	1.719	9	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.3073	0.811	4	110.3073	0.658	4	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(H)3	111.3455	4.267	2	111.3455	18.211	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.5150	1.519	2	108.5150	2.307	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0550	0.000	1	110.0550	0.000	1	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.9980	0.202	3	108.9980	0.041	3	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.5553	0.805	8	110.4879	0.723	10	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.2185	1.339	2	110.4879	0.723	10	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.4560	1.237	2	110.4560	1.531	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2C)(H)3	109.8295	2.162	2	109.8295	4.673	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]Ir)(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]Ir)(CH3)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|Ir<6>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.2830	3.390	2	110.2830	11.491	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	110.5410	1.669	2	110.5410	2.785	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	109.7215	0.411	2	109.7215	0.169	2	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	109.9475	1.867	2	110.3997	5.020	4	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|Ir<6>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.8520	3.280	2	110.3997	5.020	4	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	109.7032	0.706	4	109.7032	0.498	4	109.4238	3.467	107	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2{1|C<4>,1|O<2>,2|N<3>}	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.8025	2.058	2	111.8025	4.237	2	110.6269	5.956	10	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C(C[6]C[6]N[6]C)(H)3	110.3330	2.561	8	110.3330	6.558	8	110.6269	5.956	10	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2{2|S<4>,3|C<4>}	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{3|C<4>,3|H<1>,4|O<1>}	C(C[6]C[6]N[6]C)(H)3	109.1340	1.492	4	109.1340	2.226	4	109.9579	5.546	20	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|O<2>,3|C<4>}	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	110.1489	1.610	8	110.1489	2.591	8	109.9579	5.546	20	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|S<4>,3|C<4>}	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{2|H<1>,3|C<4>,5|O<1>}	C(C[6]C[6]N[6]C)(H)3	110.1788	3.320	8	110.1788	11.024	8	109.9579	5.546	20	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<2>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.8098	1.618	8	107.5232	3.630	12	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	106.9500	2.558	4	107.5232	3.630	12	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<2>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.8116	1.376	8	108.6518	4.295	24	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.0719	2.151	16	108.6518	4.295	24	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.8930	4.839	2	108.8930	23.420	2	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.8144	1.860	8	108.6967	6.549	52	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.6047	3.003	20	108.6967	6.549	52	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.0673	2.010	24	108.6967	6.549	52	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.0941	2.034	16	108.0941	4.136	16	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Cd)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Cd)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cd<2>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.8732	1.226	8	108.8732	1.503	8	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.6380	1.299	4	111.6380	1.688	4	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.9098	1.092	8	109.9098	1.192	8	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.2915	0.407	2	110.2915	0.165	2	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.6955	0.742	8	111.6955	0.551	8	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Li)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Li)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.3890	0.054	4	109.3890	0.003	4	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Mg)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Mg)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Mg<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.0834	1.217	8	109.0834	1.482	8	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.3443	1.915	12	110.3443	3.668	12	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.0050	0.566	2	109.8364	3.278	351	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.9001	1.217	48	109.8364	3.278	351	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.4996	1.670	301	109.8364	3.278	351	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.4710	1.725	2	110.4146	1.924	183	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.4665	1.421	67	110.4146	1.924	183	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.4401	1.321	94	110.4146	1.924	183	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.0985	1.218	4	110.4146	1.924	183	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.9946	1.662	16	110.4146	1.924	183	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.3015	3.361	2	110.4775	2.642	172	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.4678	1.612	170	110.4775	2.642	172	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]N[6]CC)2(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CC)2(H)2{1|C<3>,2|O<1>}	C(C[6]C[6]N[6]C)(H)3	112.2758	2.919	8	112.2758	8.520	8	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<2>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.0507	2.071	28	107.9821	5.002	47	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.8812	2.517	19	107.9821	5.002	47	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Re)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Re<4>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.3105	2.535	2	108.3105	6.426	2	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<4>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.3053	2.448	4	107.4553	5.467	8	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.6052	2.589	4	107.4553	5.467	8	109.8313	3.854	931	109.7993	3.845	1093	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2C)(CCHH)(H)2	108.6330	0.000	1	108.6330	0.000	1	109.3450	1.013	10	109.3450	1.013	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(CC[5]HH)(H)2	109.3090	0.000	1	109.3090	0.000	1	109.3450	1.013	10	109.3450	1.013	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(CC[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CC[5]HH)(H)2	108.8480	0.000	1	108.8480	0.000	1	109.3450	1.013	10	109.3450	1.013	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CHHS)(H)2	107.7260	0.000	1	107.7260	0.000	1	109.3450	1.013	10	109.3450	1.013	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.1447	0.668	3	109.1447	0.446	3	109.3450	1.013	10	109.3450	1.013	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	110.1670	0.240	2	110.1670	0.058	2	109.3450	1.013	10	109.3450	1.013	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CC[6a]HH)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	111.1660	0.000	1	111.1660	0.000	1	109.3450	1.013	10	109.3450	1.013	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CH3)(OH)(H)	111.0883	0.741	3	111.0883	0.549	3	111.0883	0.549	3	110.8205	0.653	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HO)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)2(OH)(H)	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	110.8205	0.653	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	109.3685	3.125	2	109.2503	4.913	9	109.3417	4.451	10	109.4597	4.159	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.2166	2.218	7	109.2503	4.913	9	109.3417	4.451	10	109.4597	4.159	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1640	0.000	1	110.1640	0.000	1	109.3417	4.451	10	109.4597	4.159	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	C(C[6]C[6a]C[6]2)(H)3	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)3	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	109.4597	4.159	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2C)(CC[5a]CH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CC[5a]CH)(H)2	109.5375	1.204	2	109.5375	1.450	2	109.5375	1.450	2	109.5375	1.450	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(CCHH)(CCHO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CH3)(OH)(H)	108.1350	0.091	2	108.1350	0.008	2	108.9633	2.063	3	108.9633	2.063	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2C)(CH3)(OH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(CCHO)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CH3)(OH)(H)	110.6200	0.000	1	110.6200	0.000	1	108.9633	2.063	3	108.9633	2.063	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9755	4.856	2	110.9755	23.578	2	110.9755	23.578	2	110.2855	8.524	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5955	0.299	2	109.5955	0.089	2	109.5955	0.089	2	110.2855	8.524	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	3:4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(OH)(H)	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6,6]C[5a]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[5a]C[6])(H)3	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	C(C[6]C[6]2C)(H)3	113.0020	0.000	1	113.0020	0.000	1	112.3815	10.624	13	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	112.5440	4.347	2	112.4640	12.162	10	112.3815	10.624	13	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	112.4128	4.427	4	112.4640	12.162	10	112.3815	10.624	13	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	112.4753	3.253	4	112.4640	12.162	10	112.3815	10.624	13	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	111.6585	4.065	2	111.6585	16.526	2	112.3815	10.624	13	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3){2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	113.5690	0.000	1	113.5690	0.000	1	112.1851	5.990	7	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6]C[6]2C)(H)3	113.7445	1.457	2	113.7445	2.124	2	112.1851	5.990	7	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2C)(H)3	110.6565	0.606	2	110.6565	0.367	2	112.1851	5.990	7	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.4625	4.577	2	111.4625	20.950	2	112.1851	5.990	7	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:Cl-1:Cl-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2C)(Cl)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(Cl)2(H)	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	112.3455	0.436	2	112.3455	0.190	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H){1|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	107.5380	0.981	2	107.5380	0.963	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	110.0950	0.858	2	110.2758	1.141	4	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.4565	1.599	2	110.2758	1.141	4	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.5860	1.242	2	110.5860	1.542	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3475	0.494	2	110.3475	0.244	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2C)(H)3	108.7625	0.401	2	108.7625	0.161	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	111.5660	0.000	1	111.5660	0.000	1	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.9885	4.624	2	111.9885	21.379	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	111.4505	1.844	4	111.4505	3.401	4	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.1350	0.000	1	111.1350	0.000	1	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.5270	0.000	1	111.5270	0.000	1	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.2150	0.000	1	111.2150	0.000	1	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.9607	2.814	6	111.9607	7.918	6	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	C(C[6]C[6]2C)(H)3	111.1240	0.921	2	111.1240	0.848	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	108.9370	0.000	1	108.9370	0.000	1	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2{1|In<4>,2|H<1>}	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H){2|Br<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	111.8130	2.281	2	111.8130	5.204	2	110.9160	4.087	35	111.3417	6.054	57	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(OC)(H)2	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	113.1630	0.000	1	113.1630	0.000	1	113.1630	0.000	1	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3){2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(CCHH)(H)2	110.3480	0.601	2	110.3480	0.361	2	110.5247	0.274	3	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C(C[6]C[6]2C)(CCHH)(H)2	110.8780	0.000	1	110.8780	0.000	1	110.5247	0.274	3	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	115.7700	0.000	2	115.7700	0.000	2	115.7700	0.000	2	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2S)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2S)(CCHH)(H)2	113.6630	4.475	2	113.6610	6.674	4	113.6610	6.674	4	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2S)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2S)(CCHH)(H)2	113.6590	0.000	2	113.6610	6.674	4	113.6610	6.674	4	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H){2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	112.5341	7.458	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.8685	2.471	2	110.8685	6.108	2	111.7800	3.380	4	110.8849	1.134	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	112.6915	0.842	2	112.6915	0.709	2	111.7800	3.380	4	110.8849	1.134	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	109.7735	1.129	2	110.7059	0.636	20	110.7059	0.636	20	110.8849	1.134	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.5863	0.587	14	110.7059	0.636	20	110.7059	0.636	20	110.8849	1.134	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.5907	0.649	4	110.7059	0.636	20	110.7059	0.636	20	110.8849	1.134	24	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C-4:O[6]-2:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	111.8345	1.384	2	111.8345	1.915	2	111.8345	1.915	2	111.8345	1.915	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	113.2610	0.393	2	113.2610	0.155	2	113.2610	0.155	2	113.2610	0.155	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:1:1:	4:3:3:2:	C[6]-4:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-3:O-2:	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	C[6](C[6]C[6,6a]HH)(CC[6a]CO)(O[6]C[6])(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	114.2850	0.000	1	114.2850	0.000	1	114.2850	0.000	1	114.2850	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	3:4:2:1:	4:3:2:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	C[6](C[6]C[6a]N[6]H)(CC[6a]HN)(O[6]C[6])(H){1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NN)(H)	117.9200	0.000	1	117.9200	0.000	1	117.9200	0.000	1	117.9200	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:2:1:1:	3:4:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]O[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)(H)2	113.8863	1.020	3	113.8863	1.041	3	113.8863	1.041	3	113.8863	1.041	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:2:1:1:	4:3:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[6a]-3:H-1:H-1:	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:2:1:1:	4:3:3:2:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	C[6](C[6]O[6]HH)(CC[6a]2O)(O[6]C[6])(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)2(OH)	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:2:1:1:	4:3:4:2:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]O[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:3:1:1:	3:4:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]N[6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3,5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(CC[3,5]CH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	116.4070	0.000	1	116.4070	0.000	1	116.4070	0.000	1	116.4070	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:S-2:H-1:	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[6]C[6]HH)(CC[6a]HS)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(SC[6a])(H)	114.0490	0.000	1	114.0490	0.000	1	114.0490	0.000	1	114.0490	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N-3:H-1:	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	C[6](C[6]C[6]HH)(CC[6a]HN)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(NCS)(H)	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:1:1:	4:3:4:2:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	C[6](C[6]C[6]HH)(CC[6a]CO)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	114.7595	1.423	2	114.7595	2.026	2	114.7595	2.026	2	114.7595	2.026	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CC[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	112.7320	1.054	2	112.7320	1.110	2	112.7320	1.110	2	111.6538	1.638	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	112.3700	1.923	2	112.3700	3.699	2	111.2943	1.452	6	111.6538	1.638	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(CN[5a]HH)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(N[5a]C[5a]N[5a])(C[6]C[6]O[6]H)(H)2	110.7565	0.171	4	110.7565	0.029	4	111.2943	1.452	6	111.6538	1.638	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	C[6](C[6]C[6]HO)(CC[6a]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(OH)(H)	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)2	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	113.7700	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:1:	4:4:3:1:	4:3:4:1:	C[6]-4:C-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6](C[6]C[6]CH)(CC[6a]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:2:	4:4:2:1:	4:3:3:2:	C[6]-4:C-4:O[6]-2:N-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	C[6](C[6]C[6]HN)(CC[6a]2O)(O[6]C[6])(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	117.4510	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:3:	4:2:1:1:	4:3:1:1:	C[6]-4:C-4:O[6]-2:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO){1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)2	111.8465	2.234	2	111.8465	4.990	2	111.8465	4.990	2	111.8465	4.990	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	113.7530	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[5]C[5]2H)(C[6]C[6]HH)(O[6]C[6])(CH3){5|H<1>,6|C<4>}	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5]C[6]O[6])(H)3	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	109.2789	0.697	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	108.8238	0.421	5	108.8238	0.178	5	109.1591	0.679	7	109.2789	0.697	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	109.1620	0.000	1	109.1620	0.000	1	109.1591	0.679	7	109.2789	0.697	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.8330	0.000	1	110.8330	0.000	1	109.1591	0.679	7	109.2789	0.697	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	114.7425	0.201	4	113.6628	5.859	5	112.8355	8.794	6	113.0400	7.621	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	109.3440	0.000	1	113.6628	5.859	5	112.8355	8.794	6	113.0400	7.621	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	108.6990	0.000	1	108.6990	0.000	1	112.8355	8.794	6	113.0400	7.621	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:S-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH)	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	C[6](C[5,6]N[6]O[5]2)(C[6]C[6]HH)(SC[6a])(CCHH){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CS)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	113.0400	7.621	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6]C[6]2O[6])(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3){4|H<1>,5|C<4>}	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O[6])(H)3	111.7900	0.724	2	111.7900	0.524	2	111.7900	0.524	2	110.6278	3.879	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3)	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H)	C(C[6]C[6]2O[6])(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(O[6]C[6,6])(CH3){4|H<1>,5|C<4>}	C[6](C[6]C[6]O[6]C)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6]2O[6])(H)3	109.4655	2.389	2	109.4655	5.709	2	109.4655	5.709	2	110.6278	3.879	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	112.3365	0.501	2	112.3365	0.251	2	112.3365	0.251	2	112.3365	0.251	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5]C[6]O[6])(H)3	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5]C[6]O[6])(H)3	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	115.8699	1.716	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:S-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3)	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]S)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]S)(H)3	112.8380	0.000	1	112.8380	0.000	1	112.8380	0.000	1	115.8699	1.716	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	115.8354	0.385	5	115.8354	0.148	5	115.8354	0.148	5	115.8699	1.716	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	117.1730	0.000	1	117.1730	0.000	1	116.7645	0.334	2	115.8699	1.716	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	116.3560	0.000	1	116.3560	0.000	1	116.7645	0.334	2	115.8699	1.716	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:O-2:C-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC[6])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6]H)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	C(C[6]C[6]2O)(CH3)(H)2	109.9305	1.179	2	109.9305	1.389	2	109.9305	1.389	2	109.9305	1.389	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:1:	4:4:1:1:	3:3:4:1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6a]-3:C[6]-4:H-1:	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](CC[5a]C[6a]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2H)(H)	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:1:	4:4:1:1:	3:4:4:1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](CC[6a]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	113.7770	0.000	1	113.7770	0.000	1	113.7770	0.000	1	114.5480	1.189	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:1:	4:4:1:1:	3:4:4:1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	C[6](CC[6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]S[6]2H)(H)	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	114.5480	1.189	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:1:	4:4:4:1:	3:4:3:1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:1:	4:4:4:4:	4:4:2:1:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	120.2950	0.000	1	120.2950	0.000	1	120.2950	0.000	1	120.2950	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:3:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C(C[6]C[6]2C)(H)3	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	109.9367	1.714	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6a]O)(C[6]C[6]HH)(CC[6a]O)(CH3){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	C(C[6]C[6]2C)(H)3	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	109.9367	1.714	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:1:1:	4:1:1:1:	C[6]-4:P[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	C(C[6]C[6]2P[6])(H)3	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C(C[6]C[6]2P[6])(H)3	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	109.9367	1.714	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6]3)(H)3	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	110.1273	1.602	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	108.4400	0.000	1	108.4400	0.000	1	109.9930	2.295	3	110.1273	1.602	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]2C)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]3)(H)3	110.0720	0.000	1	110.0720	0.000	1	109.9930	2.295	3	110.1273	1.602	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]3)(H)3	111.4670	0.000	1	111.4670	0.000	1	109.9930	2.295	3	110.1273	1.602	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[3]O)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:S[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3)	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2	C(C[6]C[6]2S[6])(F)3	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2{1|Pt<4>,1|S<3>,4|C<4>}	C(C[6]C[6]2S[6])(F)3	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.1340	0.253	2	110.1340	0.064	2	110.1340	0.064	2	110.1340	0.064	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]3)(OC)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]3)(OC)(H)2	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3,6]C[6]C)(H)3	108.5260	0.000	1	108.5260	0.000	1	108.0725	0.411	2	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3,6]C[6]C)(H)3	107.6190	0.000	1	107.6190	0.000	1	108.0725	0.411	2	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.4180	0.000	1	107.4180	0.000	1	110.7908	11.367	4	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[6]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9150	3.077	3	111.9150	9.467	3	110.7908	11.367	4	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	111.9270	0.000	1	111.9270	0.000	1	110.0622	1.796	5	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CC[6a]O)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.6760	0.147	2	109.6760	0.022	2	110.0622	1.796	5	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CC[6a]S)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.5160	1.670	2	109.5160	2.790	2	110.0622	1.796	5	109.6195	5.020	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C(C[6]C[6]3)(CCH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]3)(CCH)(H)2	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	C(C[6]C[5]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[5]C[6]2)(H)3	105.4235	1.169	2	105.4235	1.366	2	105.4235	1.366	2	105.4235	1.366	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]3)(CCH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]3)(CCH)(H)2	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:3:4:	4:1:1:1:	C[6]-4:C[6]-4:S[6]-3:C-4:	C[6]-4:C[6]-4:S[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3)	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3)	C(C[6]C[6]2S[6])(F)3	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]S[6]C)(C[6]C[6]HH)(S[6]C[6]Pt)(CF3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2S[6])(F)3	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5]C[6]2)(H)3	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	111.5572	2.614	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	111.5572	2.614	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H)	C(C[6]C[5]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5]C[6]2)(H)3	109.9475	0.525	2	109.9475	0.276	2	109.9475	0.276	2	111.5572	2.614	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]3)(H)3	112.7630	0.000	1	112.7630	0.000	1	112.8165	1.333	4	111.5572	2.614	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]3)(H)3	111.2220	0.000	1	112.3210	2.416	2	112.8165	1.333	4	111.5572	2.614	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]3)(H)3	113.4200	0.000	1	112.3210	2.416	2	112.8165	1.333	4	111.5572	2.614	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]3)(H)3	113.8610	0.000	1	113.8610	0.000	1	112.8165	1.333	4	111.5572	2.614	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H)	C(C[6]C[6]3)(OC)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]3)(OC)(H)2	105.6080	0.000	1	105.6080	0.000	1	105.6080	0.000	1	105.6080	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(OH)(H)2	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(COO)(H)2	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	111.7517	1.656	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(NCC)(H)2	111.1345	1.013	2	111.1345	1.027	2	111.1345	1.027	2	111.7517	1.656	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.5665	0.076	2	111.5665	0.006	2	111.5665	0.006	2	111.5665	0.006	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0737	2.283	3	113.0737	5.214	3	114.8907	4.725	7	114.8907	4.725	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	116.2535	0.442	4	116.2535	0.196	4	114.8907	4.725	7	114.8907	4.725	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:4:4:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	114.5960	0.391	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	2:4:4:4:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	114.5960	0.391	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:2:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(COO)2(H)	112.6920	0.000	1	112.6920	0.000	1	112.6920	0.000	1	112.6920	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.0785	0.685	2	112.0785	0.469	2	112.0785	0.469	2	112.1756	1.391	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	113.9860	0.000	1	113.9860	0.000	1	113.9860	0.000	1	112.1756	1.391	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	112.1756	1.391	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(CH3)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	112.1756	1.391	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(OSi)(H)2	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	113.0816	11.615	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	108.8580	0.000	1	108.8580	0.000	1	109.6377	0.838	3	113.0816	11.615	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(OH)(H)2	110.0275	0.875	2	110.0275	0.765	2	109.6377	0.838	3	113.0816	11.615	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C(C[6]C[6]2H)(OH)(H)2	116.7325	1.155	4	116.7325	1.335	4	115.3085	5.669	6	113.0816	11.615	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H){1|H<1>,1|S<2>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.4605	0.080	2	112.4605	0.006	2	115.3085	5.669	6	113.0816	11.615	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(NCH)(H)2	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CC)(CCHH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	111.1340	1.866	3	111.1340	3.483	3	111.1340	3.483	3	111.1340	3.483	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:3:4:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.0875	0.323	2	112.0875	0.104	2	112.0875	0.104	2	112.0875	0.104	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	109.7900	0.244	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.7900	0.244	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C(C[6]C[4x6]C[6]H)(H)3	108.3410	0.000	1	109.6235	3.290	2	109.6235	3.290	2	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[4x6]C[6])(C[6]C[6,6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[4x6]C[6]H)(H)3	110.9060	0.000	1	109.6235	3.290	2	109.6235	3.290	2	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	111.3475	0.153	2	110.8128	0.424	10	110.8128	0.424	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	111.6920	0.450	2	110.8128	0.424	10	110.8128	0.424	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	110.3415	0.168	6	110.8128	0.424	10	110.8128	0.424	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.5090	0.000	1	109.5090	0.000	1	110.2705	0.375	11	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.6852	0.579	5	110.3466	0.346	10	110.2705	0.375	11	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9930	0.000	1	110.3466	0.346	10	110.2705	0.375	11	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.0118	0.458	4	110.3466	0.346	10	110.2705	0.375	11	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6]C[5a,6]HH)(C[6,6]C[6]3)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	108.8135	0.032	2	108.8135	0.001	2	108.8135	0.001	2	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]2Cl)(H)3	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.6950	0.000	1	110.6950	0.000	1	109.6411	2.167	17	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.7987	0.182	3	110.0160	0.211	4	109.6411	2.167	17	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.6680	0.000	1	110.0160	0.211	4	109.6411	2.167	17	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.7135	0.062	2	111.7135	0.004	2	109.6411	2.167	17	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	108.4333	1.300	4	108.4333	1.689	4	109.6411	2.167	17	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.3135	0.670	2	111.3135	0.448	2	109.6411	2.167	17	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	108.3383	0.122	4	108.3383	0.015	4	109.6411	2.167	17	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	108.9600	0.000	1	108.9600	0.000	1	111.6087	3.523	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.4820	0.000	1	111.4820	0.000	1	111.6087	3.523	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.3970	0.000	1	111.3970	0.000	1	111.6087	3.523	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	113.6965	0.640	2	113.6965	0.410	2	111.6087	3.523	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.4200	0.000	1	110.4200	0.000	1	111.6087	3.523	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4330	0.071	2	111.4330	0.005	2	111.6087	0.352	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.0740	0.000	1	111.3377	0.058	3	111.6087	0.352	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.4695	0.111	2	111.3377	0.058	3	111.6087	0.352	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	112.7730	0.000	1	112.7730	0.000	1	111.6087	0.352	6	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6510	0.000	1	110.6510	0.000	1	110.9180	1.705	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2H)(H)3	107.7470	0.000	1	107.7470	0.000	1	110.9180	1.705	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5823	0.787	3	111.4347	0.552	7	110.9180	1.705	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3240	0.809	4	111.4347	0.552	7	110.9180	1.705	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	110.7390	0.000	1	110.7390	0.000	1	110.9180	1.705	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.5840	0.000	1	110.5840	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.9685	1.029	6	110.9685	1.059	6	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.5210	0.000	1	111.5210	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5330	0.000	1	110.6861	0.278	10	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.0250	0.436	2	110.6861	0.278	10	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.1770	0.000	1	110.6861	0.278	10	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5640	0.000	1	110.6861	0.278	10	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.5074	0.642	5	110.6861	0.278	10	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.8170	0.000	1	110.8170	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.5730	0.670	2	112.5730	0.449	2	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.8980	0.000	1	110.8043	0.212	3	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	C(C[6]C[6]2H)(H)3	110.7575	0.641	2	110.8043	0.212	3	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	108.7050	0.000	1	108.7050	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.4530	0.000	1	112.4530	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.9550	0.000	1	110.9550	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4480	0.000	1	111.4480	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.0780	0.331	3	111.8838	1.761	6	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6897	0.119	3	111.8838	1.761	6	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	110.0520	0.000	1	110.0520	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.6100	0.000	1	111.7500	0.361	5	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5350	0.417	4	111.7500	0.361	5	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.4626	0.560	5	110.4626	0.313	5	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.9835	1.272	2	111.9835	1.618	2	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.3170	0.000	1	110.3170	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8280	0.000	1	111.8280	0.000	1	111.1274	1.001	49	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.4740	0.000	1	111.4740	0.000	1	112.0745	0.721	2	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.6750	0.000	1	112.6750	0.000	1	112.0745	0.721	2	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.2633	0.494	3	110.2633	0.244	3	111.1452	1.839	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.7850	0.000	1	111.5231	2.121	7	111.1452	1.839	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5050	0.000	1	111.5231	2.121	7	111.1452	1.839	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.8390	0.000	2	111.5231	2.121	7	111.1452	1.839	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.8980	0.647	3	111.5231	2.121	7	111.1452	1.839	10	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.1410	0.000	1	109.1410	0.000	1	110.0041	1.395	7	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5140	0.000	1	111.5140	0.000	1	110.0041	1.395	7	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7500	0.000	1	110.7500	0.000	1	110.0041	1.395	7	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<2>,4|H<1>}	C(C[6]C[6]2H)(H)3	108.7550	0.000	1	110.0437	1.249	3	110.0041	1.395	7	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.6880	0.083	2	110.0437	1.249	3	110.0041	1.395	7	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2H)(H)3	108.4930	0.000	1	108.4930	0.000	1	110.0041	1.395	7	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.1050	0.082	2	113.1050	0.007	2	113.1050	0.007	2	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	115.4940	2.387	3	113.2069	3.271	13	113.2069	3.271	13	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.5208	0.910	10	113.2069	3.271	13	113.2069	3.271	13	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	110.9970	2.255	153	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C(C[6]C[4,6]C[6]H)(OH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(OH)(H)2	111.7520	0.000	1	111.7520	0.000	1	112.6315	1.547	2	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C(C[6]C[4,6]C[6]H)(OSi)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(OSi)(H)2	113.5110	0.000	1	113.5110	0.000	1	112.6315	1.547	2	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(CHHO)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(OSi)(H)2	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(OH)(H)2	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.2595	0.788	2	110.2595	0.622	2	110.2595	0.622	2	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	111.1347	1.685	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	109.3940	0.000	1	109.6055	0.089	2	109.6055	0.089	2	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	109.8170	0.000	1	109.6055	0.089	2	109.6055	0.089	2	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(NCH)(H)2	110.7530	0.000	1	110.7530	0.000	1	111.0763	5.573	3	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NCS)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(NCS)(H)2	111.2380	3.315	2	111.2380	10.989	2	111.0763	5.573	3	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.1410	1.304	2	111.1410	1.700	2	111.2713	0.901	3	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]2H)(COO)(H)2	111.5320	0.000	1	111.5320	0.000	1	111.2713	0.901	3	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]2H)(COO)(H)2	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	110.6482	1.811	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(CCCH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C(C[6]C[6]2H)(COO)2(H)	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5a,6]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	112.3347	0.650	3	112.3347	0.422	3	112.3347	0.422	3	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2{2|H<1>,6|C<4>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	111.9680	0.000	1	111.3720	0.826	3	111.2535	0.607	4	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	110.3260	0.000	1	111.3720	0.826	3	111.2535	0.607	4	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]N[5,6]HH)(CCHH)(H){2|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	111.8220	0.000	1	111.3720	0.826	3	111.2535	0.607	4	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]N[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	110.8980	0.000	1	110.8980	0.000	1	111.2535	0.607	4	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	109.3370	0.042	2	109.3370	0.002	2	109.3370	0.002	2	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	108.8763	1.193	3	108.8236	2.813	5	108.8236	2.813	5	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	106.6970	0.000	1	108.8236	2.813	5	108.8236	2.813	5	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	110.7920	0.000	1	108.8236	2.813	5	108.8236	2.813	5	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6]2H)(CH3)(H)2	113.2160	0.000	1	113.2160	0.000	1	110.2283	11.810	8	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	105.9730	0.697	2	105.9730	0.486	2	110.2283	11.810	8	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	108.4275	0.439	2	108.4275	0.193	2	110.2283	11.810	8	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	113.3000	0.000	1	113.3000	0.000	1	110.2283	11.810	8	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HO)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C(C[6]C[6]2H)(CCHH)(H)2	113.2545	1.617	2	113.2545	2.615	2	110.2283	11.810	8	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(NCCH)(H)2	112.3910	3.855	2	112.3910	14.862	2	112.3910	14.862	2	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.0900	0.000	1	112.0900	0.000	1	112.0900	0.000	1	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	112.0060	0.000	1	112.8845	1.544	2	112.8845	1.544	2	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.7630	0.000	1	112.8845	1.544	2	112.8845	1.544	2	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	110.2505	0.523	2	111.2757	3.289	3	111.4590	2.679	6	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.3260	0.000	1	111.2757	3.289	3	111.4590	2.679	6	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	110.6000	0.308	2	110.6000	0.095	2	111.4590	2.679	6	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)2(CCHH)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	113.7270	0.000	1	113.7270	0.000	1	111.4590	2.679	6	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	110.9153	4.870	39	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	112.4990	0.000	1	112.4990	0.000	1	111.2240	2.495	3	110.8115	2.344	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	110.5865	1.597	2	110.5865	2.552	2	111.2240	2.495	3	110.8115	2.344	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(OSi)(H)	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	110.8115	2.344	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)(COO)(H)	110.8480	0.716	2	110.8480	0.512	2	110.8480	0.512	2	110.8480	0.512	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C(C[6]C[6]2H)(CHHO)(COO)(OH)	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.3470	0.000	1	113.3470	0.000	1	113.3470	0.000	1	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	112.2540	0.000	1	112.2540	0.000	1	112.4555	0.081	2	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.6570	0.000	1	112.6570	0.000	1	112.4555	0.081	2	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.4020	0.467	2	114.4020	0.218	2	114.4020	0.218	2	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CC[5]CH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	112.8180	0.000	1	112.8180	0.000	1	113.6525	1.393	2	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(CCCH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	114.4870	0.000	1	114.4870	0.000	1	113.6525	1.393	2	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	111.4790	0.000	1	111.4790	0.000	1	112.2873	1.453	3	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	111.7100	0.000	1	111.7100	0.000	1	112.2873	1.453	3	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.6730	0.000	1	113.6730	0.000	1	112.2873	1.453	3	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	112.5000	0.000	1	112.1520	0.242	2	112.1520	0.242	2	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	111.8040	0.000	1	112.1520	0.242	2	112.1520	0.242	2	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCCH)(H){3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	115.1220	0.000	1	115.1220	0.000	1	115.1220	0.000	1	112.8783	1.797	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	112.6330	0.000	1	112.6330	0.000	1	112.6330	0.000	1	111.3655	5.829	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(OH)	112.6200	0.000	1	112.6200	0.000	1	112.5415	0.012	2	111.3655	5.829	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2H)(CH3)2(OH)	112.4630	0.000	1	112.4630	0.000	1	112.5415	0.012	2	111.3655	5.829	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	111.3655	5.829	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]MoH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]MoH)(CC3)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	112.9940	0.000	1	112.9940	0.000	1	112.9940	0.000	1	113.6030	0.742	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	113.6030	0.742	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1	113.8800	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.8795	0.121	2	110.8795	0.015	2	110.8795	0.015	2	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.2550	0.925	2	109.2550	0.855	2	110.3474	2.279	5	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.6895	1.841	2	110.6895	3.388	2	110.3474	2.279	5	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8480	0.000	1	111.8480	0.000	1	110.3474	2.279	5	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.3460	0.092	2	110.3460	0.008	2	110.3460	0.008	2	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.8250	0.000	1	113.8250	0.000	1	113.8250	0.000	1	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(Br)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(Br)(H)2	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(F)3	111.5795	0.354	2	111.5795	0.126	2	111.5795	0.126	2	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.1140	0.000	2	111.1140	0.000	2	111.4041	2.073	16	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.9310	0.051	2	109.9310	0.003	2	111.4041	2.073	16	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	110.4000	0.645	2	110.4000	0.416	2	111.4041	2.073	16	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7190	0.764	4	111.7190	0.584	4	111.4041	2.073	16	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.5630	0.000	1	112.1167	3.793	6	111.4041	2.073	16	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.1035	1.484	4	112.1167	3.793	6	111.4041	2.073	16	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.7230	0.000	1	112.1167	3.793	6	111.4041	2.073	16	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	111.4229	2.338	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O-2:O-2:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OC)2(H)	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)(COO)(H)	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HH)(CCCH)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.5930	0.000	1	113.5930	0.000	1	113.5930	0.000	1	113.5930	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	115.2490	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:C-4:N-3:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(CH3)2(NCH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(NCH)	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	113.1150	4.621	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:2:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]N[6]H)(H)3	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	113.1150	4.621	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:2:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	C(C[6]C[6]2H)(CCH)(OSi)(H)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(OSi)(H)	113.9765	0.459	2	113.9765	0.211	2	113.9765	0.211	2	113.9765	0.211	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:2:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-2:C-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CN)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2H)(CHHO)(H)2	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	114.8800	0.399	3	114.8800	0.159	3	114.8800	0.159	3	114.8800	0.159	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4270	0.000	1	111.4270	0.000	1	109.7303	2.820	3	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCO)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	109.6950	0.000	1	109.6950	0.000	1	109.7303	2.820	3	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	108.0690	0.000	1	108.0690	0.000	1	109.7303	2.820	3	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.6640	0.000	1	112.6640	0.000	1	112.9843	0.416	3	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.7270	0.000	1	113.7270	0.000	1	112.9843	0.416	3	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H){1|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.5620	0.000	1	112.5620	0.000	1	112.9843	0.416	3	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	110.6790	0.778	2	111.7303	3.472	7	111.7523	2.447	11	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.3430	2.338	4	111.7303	3.472	7	111.7523	2.447	11	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.3820	0.000	1	111.7303	3.472	7	111.7523	2.447	11	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.6120	0.735	2	112.6120	0.541	2	111.7523	2.447	11	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.9695	0.627	2	110.9695	0.393	2	111.7523	2.447	11	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]HN)(CH3)(H){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-4:N[3,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C(C[6]N[3,6]C[6]H)(H)3	C[6](C[6]C[6,6a]C[6a]H)(N[3,6]C[3,6]O[3]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]N[3,6]C[6]H)(H)3	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	111.7462	2.942	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.7800	0.000	1	111.7800	0.000	1	112.4670	0.944	2	112.5724	1.056	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	113.1540	0.000	1	113.1540	0.000	1	112.4670	0.944	2	112.5724	1.056	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CN)(H)2	113.3780	0.000	1	113.3780	0.000	1	113.3780	0.000	1	112.5724	1.056	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.5125	0.801	2	112.5125	0.642	2	111.9843	1.158	3	112.5724	1.056	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CHHO)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.9280	0.000	1	110.9280	0.000	1	111.9843	1.158	3	112.5724	1.056	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6]2H)(OH)(H)2	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	112.5724	1.056	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]2)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	114.4480	0.000	1	114.4480	0.000	1	114.4480	0.000	1	111.8693	2.594	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	112.8395	0.904	2	112.8395	0.818	2	112.8395	0.818	2	111.8693	2.594	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	110.5380	0.130	2	110.5380	0.017	2	110.5380	0.017	2	111.8693	2.594	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	110.2590	0.000	1	110.2590	0.000	1	110.9410	0.930	2	111.8693	2.594	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	111.6230	0.000	1	111.6230	0.000	1	110.9410	0.930	2	111.8693	2.594	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C(C[6]C[6]2H)(SiC3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(SiC3)2(H)	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.6234	12.740	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	115.6234	12.740	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:4:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	117.5023	2.342	3	117.5023	5.487	3	117.5023	5.487	3	115.6234	12.740	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)3	112.5770	0.000	1	112.5770	0.000	1	113.0635	0.473	2	113.0635	0.473	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:3:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(CH3)3	113.5500	0.000	1	113.5500	0.000	1	113.0635	0.473	2	113.0635	0.473	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){1|N<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]NiH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]CH)(C[6]C[6]NiH)(CH3)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.7660	0.000	1	110.7660	0.000	1	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.1470	0.000	1	110.1470	0.000	1	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.9740	0.000	1	113.9740	0.000	1	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	110.7460	0.000	1	110.7460	0.000	1	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.0910	0.000	2	112.0910	0.000	2	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(H)3	112.3000	0.000	1	112.3000	0.000	1	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.7940	0.000	1	112.7940	0.000	1	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.1690	0.000	1	114.1690	0.000	1	112.1198	1.967	9	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(H)3	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.5500	0.000	1	112.5500	0.000	1	112.5500	0.000	1	112.0484	2.222	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5,6]C[6]H)(OSi)(H)2	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(OSi)(H)2	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	110.7650	0.000	1	110.2688	2.501	9	110.9866	3.235	14	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	110.2067	1.679	8	110.2688	2.501	9	110.9866	3.235	14	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(OH)(H)2	113.5270	0.000	1	112.0903	3.910	3	110.9866	3.235	14	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.3720	2.174	2	112.0903	3.910	3	110.9866	3.235	14	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(OS)(H)2	113.2580	0.000	1	113.2580	0.000	1	110.9866	3.235	14	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.8640	0.000	1	111.8640	0.000	1	110.9866	3.235	14	110.9759	3.213	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	110.5500	0.000	1	110.5500	0.000	1	110.5500	0.000	1	111.9590	3.971	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	111.9590	3.971	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	112.5687	5.708	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	115.8970	0.000	1	115.8970	0.000	1	115.8970	0.000	1	112.5687	5.708	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	111.4400	2.619	3	111.4400	6.859	3	112.3529	6.604	8	112.5687	5.708	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.4193	2.821	4	112.4193	7.959	4	112.3529	6.604	8	112.5687	5.708	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	114.8260	0.000	1	114.8260	0.000	1	112.3529	6.604	8	112.5687	5.708	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]CH)(CCHH)(H){3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H){3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	111.1540	0.000	1	111.1540	0.000	1	111.1540	0.000	1	112.5687	5.708	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	Si[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C(C[6]Si[6]C[6]H)(CCHH)(H)2	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]Si[6]C[6]H)(CCHH)(H)2	111.3050	0.379	2	111.3050	0.144	2	111.3050	0.144	2	112.5687	5.708	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	114.3184	1.542	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.3025	1.279	24	114.3025	1.635	24	114.3025	1.635	24	114.3184	1.542	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	P[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](P[6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.1640	0.000	1	115.1640	0.000	1	115.1640	0.000	1	114.3184	1.542	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	112.7117	1.035	3	112.7117	1.072	3	112.7117	1.072	3	112.7117	1.072	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	112.9577	1.269	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	C(C[6]C[6]2H)(H)3	112.9780	0.000	1	112.9780	0.000	1	112.9780	0.000	1	112.9577	1.269	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7380	0.000	2	111.7380	0.000	2	112.5492	0.673	5	112.9577	1.269	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.6660	0.000	1	113.6660	0.000	1	112.5492	0.673	5	112.9577	1.269	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.8020	0.000	2	112.8020	0.000	2	112.5492	0.673	5	112.9577	1.269	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(CHHN)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	110.8360	1.457	2	110.8360	2.122	2	110.8360	2.122	2	110.8360	2.122	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(NCCH)(H)2	108.9640	0.248	5	108.9640	0.062	5	108.9640	0.062	5	108.9640	0.062	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2H)(H)3	114.3230	1.051	2	114.3230	1.104	2	114.3230	1.104	2	114.3230	1.104	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.8100	0.000	1	114.5225	0.165	2	114.2663	0.280	3	114.0928	0.922	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.2350	0.000	1	114.5225	0.165	2	114.2663	0.280	3	114.0928	0.922	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.7540	0.000	1	113.7540	0.000	1	114.2663	0.280	3	114.0928	0.922	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.6455	1.331	4	114.6455	1.771	4	114.6455	1.771	4	114.0928	0.922	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.6150	0.000	2	113.6150	0.000	2	113.4100	0.056	4	114.0928	0.922	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.2050	0.000	2	113.2050	0.000	2	113.4100	0.056	4	114.0928	0.922	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	113.3620	0.000	1	113.2225	0.039	2	113.2225	0.039	2	113.2225	0.039	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]C)(CCHH)(H){1|N<2>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	113.0830	0.000	1	113.2225	0.039	2	113.2225	0.039	2	113.2225	0.039	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(COO)(H)2	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	3:4:4:4:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)(CHHO){3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OC)	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	3:3:3:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	113.9865	0.892	2	114.1742	0.765	6	114.1742	0.765	6	114.1742	0.765	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	3:3:3:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]O[6]HH)2(CC[6a]3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(CC[6a]3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	114.2680	0.988	4	114.1742	0.765	6	114.1742	0.765	6	114.1742	0.765	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	C(C[6]C[4x6]C[6]H)(H)3	107.8470	0.000	1	108.4650	0.286	3	108.4650	0.286	3	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	C(C[6]C[4x6]C[6]H)(H)3	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]O[6]HH)(CH3)(H){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	C(C[6]C[4x6]C[6]H)(H)3	108.7740	0.000	2	108.4650	0.286	3	108.4650	0.286	3	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.0430	0.000	1	110.0430	0.000	1	110.0093	4.548	3	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|S<3>,2|C<3>}	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.9925	3.016	2	109.9925	9.095	2	110.0093	4.548	3	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CBrHH)(Br)	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2	C(C[6]C[6]2Br)(Br)(H)2	C[6](C[6]O[6]HH)2(CBrHH)(Br){1|P<4>}	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	C(C[6]C[6]2Br)(Br)(H)2	110.0745	1.855	2	110.0745	3.440	2	110.0745	3.440	2	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C(C[6]C[6]2H)(Br)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(CBrHH)(H){3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(Br)(H)2	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.7970	0.000	1	109.7970	0.000	1	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.7160	0.000	1	111.0189	0.608	28	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.6600	0.000	1	111.0189	0.608	28	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8065	1.312	2	111.0189	0.608	28	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.8975	0.663	24	111.0189	0.608	28	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.0740	0.000	1	111.9013	4.069	3	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5640	0.000	1	111.9013	4.069	3	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.0660	0.000	1	111.9013	4.069	3	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	110.0300	0.000	1	110.0300	0.000	1	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.5800	0.000	1	110.5800	0.000	1	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]HH)2(CH3)(H){1|P<4>}	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C(C[6]C[6]2H)(H)3	110.3240	0.933	2	110.3240	0.871	2	110.9802	0.896	36	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|H<1>,1|N<1>,1|O<1>,2|C<4>}	C(C[6]C[6]S[6]H)(H)3	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	110.8669	1.670	49	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CHHO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.3500	0.014	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.4350	0.000	1	110.4350	0.000	1	110.4350	0.000	1	110.3500	0.014	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	109.7423	1.673	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	111.2160	0.000	1	111.2160	0.000	1	111.2160	0.000	1	109.7423	1.673	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	108.7650	0.000	1	108.7650	0.000	1	109.6257	2.589	3	109.7423	1.673	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(COO)(H)2	111.4820	0.000	1	111.4820	0.000	1	109.6257	2.589	3	109.7423	1.673	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C(C[6]C[6]2H)(COO)(H)2	108.6300	0.000	1	108.6300	0.000	1	109.6257	2.589	3	109.7423	1.673	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	109.7423	1.673	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]S[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]S[6]HH)2(CCHH)(H){1|C<4>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	110.0475	0.500	2	110.0475	0.250	2	110.0475	0.250	2	110.0475	0.250	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H)	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]S[6]HH)(CC[6]HO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	110.3480	1.242	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	110.3480	1.242	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	113.6685	2.529	2	113.6685	6.397	2	113.6685	6.397	2	114.4553	5.056	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-4:C-3:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	C(C[6]C[6]2H)(SC[6a]OO)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(SC[6a]OO)(CCH)(H)	116.0290	0.000	1	116.0290	0.000	1	116.0290	0.000	1	114.4553	5.056	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]S[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]S[6]HH)2(CC3)(H){1|C<4>}	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	113.2920	1.411	2	113.2920	1.992	2	113.2920	1.992	2	113.2920	1.992	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	110.1390	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]HO)(CH3)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.0275	0.771	2	110.0275	0.595	2	110.7890	2.037	3	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	112.3120	0.000	1	112.3120	0.000	1	110.7890	2.037	3	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HN)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.4210	0.000	1	111.4210	0.000	1	111.5991	0.943	10	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.7920	0.720	5	111.7920	0.518	5	111.5991	0.943	10	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.4025	0.800	2	112.4025	0.640	2	111.5991	0.943	10	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.2400	0.000	1	111.2400	0.000	1	111.5991	0.943	10	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.5650	0.000	1	109.5650	0.000	1	111.5991	0.943	10	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(C[6]C[6]2H)(Br)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(Br)(H)2	113.0640	0.000	1	113.0640	0.000	1	113.0640	0.000	1	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.9160	0.144	2	110.9160	0.021	2	110.7947	0.539	6	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.7450	0.000	1	109.7450	0.000	1	110.7947	0.539	6	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5000	0.429	2	111.5000	0.184	2	110.7947	0.539	6	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CH3)(H){1|C<2>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.1910	0.000	1	110.1910	0.000	1	110.7947	0.539	6	111.3136	1.079	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(C[6]C[6]2H)(COO)(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(NCH)(H)	113.0820	2.751	3	113.0820	7.568	3	113.0820	7.568	3	113.0820	7.568	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:3:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HO)(CC[6a]CH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	C(C[6]C[6]2H)(CC[5]HH)(H)2	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CC[5]HH)(H)2	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.6295	0.002	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	110.6620	0.000	1	110.6620	0.000	1	110.6620	0.000	1	110.6295	0.002	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:Si-4:Si-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(C[6]C[6]2H)(SiC3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(CSi2H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(SiC3)2(H)	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:F-1:F-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H)	C(C[6]C[6]2H)(CCF)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCF)(F)2	114.3420	0.000	1	114.3420	0.000	1	114.4475	0.022	2	114.4475	0.022	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:F-1:F-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H)	C(C[6]C[6]2H)(CClC)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CClC)(F)2	114.5530	0.000	1	114.5530	0.000	1	114.4475	0.022	2	114.4475	0.022	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	112.3427	1.348	3	112.3427	1.817	3	112.3427	1.817	3	112.3427	1.817	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	110.1130	0.115	3	110.1130	0.013	3	110.1130	0.013	3	110.1130	0.013	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.5610	0.000	1	112.5610	0.000	1	112.1620	0.318	2	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]O[6]O)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	111.7630	0.000	1	111.7630	0.000	1	112.1620	0.318	2	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	108.1830	0.000	1	108.1830	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	109.6860	0.363	2	109.6860	0.132	2	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.9075	0.244	2	111.9075	0.060	2	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4542	0.669	6	112.1830	0.686	10	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7763	0.972	4	112.1830	0.686	10	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.5030	0.000	1	112.5030	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.1900	0.000	1	112.1900	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[3x6])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.8460	0.000	1	111.8460	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.9320	0.000	1	111.9320	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	110.6730	0.413	4	110.6730	0.171	4	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	112.0990	2.871	2	112.9160	2.838	13	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.6700	0.928	2	112.9160	2.838	13	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.6008	1.587	5	112.9160	2.838	13	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	114.9370	0.619	2	112.9160	2.838	13	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	113.7460	0.021	2	112.9160	2.838	13	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.1850	0.000	1	113.1850	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	112.6290	0.000	1	113.5745	1.788	2	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	114.5200	0.000	1	113.5745	1.788	2	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CH)(O[6]P[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	C(C[6]C[6]2H)(H)3	109.5160	0.000	1	109.5160	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCO)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.0580	0.000	1	114.0580	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	110.0500	0.000	1	111.5457	1.323	4	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.0443	0.702	3	111.5457	1.323	4	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)2(CH3)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	116.4510	0.000	1	116.4510	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]O[6]CH)2(CH3)(H){1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.2760	0.000	1	109.2760	0.000	1	112.0870	2.936	47	112.0972	2.766	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.7390	0.747	2	113.7390	0.558	2	112.8387	1.284	6	112.8387	1.284	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.1870	0.938	2	113.1870	0.879	2	112.8387	1.284	6	112.8387	1.284	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.5900	0.000	2	111.5900	0.000	2	112.8387	1.284	6	112.8387	1.284	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	112.8920	0.000	1	112.8920	0.000	1	112.8920	0.000	1	112.8920	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:2:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	C(C[6]C[6]2H)(CCH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(OH)(H)	115.3930	0.000	1	115.3930	0.000	1	115.3930	0.000	1	115.3930	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.7977	0.359	3	112.7977	0.129	3	112.7977	0.129	3	112.7977	0.129	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	115.3045	0.411	2	115.3045	0.169	2	113.5583	9.232	3	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	110.0660	0.000	1	110.0660	0.000	1	113.5583	9.232	3	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	116.2200	0.000	1	116.2200	0.000	1	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.3490	1.915	2	114.3490	3.667	2	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	113.3607	1.919	4	112.8676	2.646	7	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	112.2100	1.131	3	112.8676	2.646	7	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	112.0000	0.000	1	112.0000	0.000	1	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.0958	1.786	4	115.2530	2.515	5	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.8820	0.000	1	115.2530	2.515	5	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	116.6513	0.596	12	116.6513	0.355	12	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	C(C[6]C[6]2H)(CC[5]HH)(H)2	C[6](C[6]O[6]CC)(C[6]O[6]CH)(CCHH)(H){1|C<3>}	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(CC[5]HH)(H)2	117.2860	0.000	1	117.2860	0.000	1	115.1847	4.070	29	115.0323	4.503	32	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:2:4:4:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[3]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	3:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	110.8660	0.000	1	110.5133	0.120	3	110.5133	0.120	3	110.5133	0.120	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	3:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	110.3370	0.232	2	110.5133	0.120	3	110.5133	0.120	3	110.5133	0.120	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	3:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:S-4:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CS)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	112.7565	0.084	2	112.7565	0.007	2	112.7565	0.007	2	112.7565	0.007	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[3x6]C[6]H)(H)3	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,5,6]C[6]H)(H)3	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,5,6]C[6]H)(H)3	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	111.6100	0.000	1	111.6100	0.000	1	111.2080	0.329	4	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	111.7290	0.000	1	111.7290	0.000	1	111.2080	0.329	4	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6,6]C[6]H)(H)3	110.7465	0.359	2	110.7465	0.129	2	111.2080	0.329	4	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.8600	0.000	1	110.8600	0.000	1	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]C[5,5]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	108.1330	0.000	1	108.1330	0.000	1	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.7940	0.000	1	111.7940	0.000	1	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.2050	0.301	2	110.2050	0.091	2	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.2950	0.000	1	110.2950	0.000	1	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	112.0840	0.000	1	112.0840	0.000	1	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	111.5354	0.728	19	111.5354	0.530	19	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.5380	0.000	1	109.5380	0.000	1	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.2050	0.000	2	111.2050	0.000	2	111.1964	0.999	29	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]BrH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(Br)(H){1|Br<1>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.5940	0.653	2	109.5940	0.427	2	109.5940	0.427	2	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	110.7060	0.000	1	110.7060	0.000	1	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	107.5870	0.000	1	107.5870	0.000	1	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.6230	0.000	1	110.6230	0.000	1	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.7610	0.427	2	110.6012	1.506	9	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<2>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	112.6380	0.000	2	110.6012	1.506	9	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	110.3757	0.514	3	110.6012	1.506	9	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.7430	0.000	2	110.6012	1.506	9	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.6240	0.000	1	109.6240	0.000	1	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.5175	2.975	2	110.5175	8.849	2	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	116.3500	0.000	1	113.0445	21.853	2	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.7390	0.000	1	113.0445	21.853	2	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	110.9360	0.000	1	110.9360	0.000	1	110.6673	3.811	18	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl){1|Cl<1>,1|F<1>,2|C<4>}	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(H)3	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(F)3	111.8298	0.539	6	111.8298	0.291	6	111.7117	0.374	8	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(F)3	111.3575	0.910	2	111.3575	0.828	2	111.7117	0.374	8	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	110.3000	0.000	1	109.4960	0.393	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	108.8270	0.000	1	109.4960	0.393	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.6250	0.000	1	109.4960	0.393	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.2320	0.000	1	109.4960	0.393	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{4|C<4>}	C(C[6]C[6]2H)(H)3	110.8790	0.000	1	110.8790	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.0860	0.000	1	109.5190	0.169	3	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	109.7355	0.237	2	109.5190	0.169	3	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.3120	0.000	1	109.3120	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.1585	0.202	2	111.1585	0.041	2	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)3	108.4330	0.000	1	110.0383	1.544	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4200	0.000	1	110.0383	1.544	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.1500	0.346	2	110.0383	1.544	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2H)(H)3	110.6490	0.000	1	110.6490	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.5310	0.000	1	110.5310	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3280	0.000	1	111.3280	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.1290	0.000	1	113.1290	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5975	0.968	2	114.3460	11.201	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	117.0945	1.565	2	114.3460	11.201	4	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.2770	0.000	1	111.8262	0.894	5	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.0760	0.000	1	111.8262	0.894	5	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.2650	0.000	1	111.8262	0.894	5	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.0440	0.000	1	111.8262	0.894	5	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4690	0.000	1	111.8262	0.894	5	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.9850	0.000	1	110.7148	0.459	6	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.2650	0.000	1	110.7148	0.459	6	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.5223	0.623	3	110.7148	0.459	6	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4720	0.000	1	110.7148	0.459	6	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.2640	0.000	1	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3840	0.000	1	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3150	0.000	1	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.2597	1.240	4	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.4075	2.057	2	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.7890	0.288	5	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4140	0.000	1	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.9920	0.050	4	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6667	0.716	6	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.9370	0.000	1	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.8940	0.000	1	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.5370	0.000	1	111.0540	0.911	28	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.0610	0.000	1	111.0610	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]O)(C[6]C[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.3980	0.000	1	111.3980	0.000	1	111.0565	2.321	64	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)2(I)	108.0695	1.356	2	108.0695	1.837	2	108.0695	1.837	2	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(F)3	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.7629	0.453	8	110.6597	0.203	11	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|F<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.7680	0.000	1	110.6597	0.203	11	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.1930	0.245	2	110.6597	0.203	11	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6290	0.571	2	110.8865	2.237	6	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.6055	0.380	2	110.8865	2.237	6	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.4250	0.634	2	110.8865	2.237	6	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7267	0.493	3	111.7267	0.243	3	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	110.2450	0.000	1	110.2450	0.000	1	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(H)3	110.1320	0.000	1	110.1320	0.000	1	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.2180	0.000	1	110.0715	0.043	2	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CH3)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.9250	0.000	1	110.0715	0.043	2	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C(C[6]C[6]2H)(H)3	108.1380	0.000	1	108.1380	0.000	1	110.6566	1.040	25	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.1400	0.000	1	112.1400	0.000	1	112.8587	0.454	3	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.9590	0.000	1	112.9590	0.000	1	112.8587	0.454	3	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.4770	0.000	1	113.4770	0.000	1	112.8587	0.454	3	110.9792	1.994	160	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(OC)(H)2	111.7890	1.462	2	111.7890	2.138	2	111.7850	1.070	4	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(OC)(H)2	112.5130	0.000	1	112.5130	0.000	1	111.7850	1.070	4	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(H)2	111.0490	0.000	1	111.0490	0.000	1	111.7850	1.070	4	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	110.8740	0.000	1	110.8740	0.000	1	110.8740	0.000	1	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CN)(H)2	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<2>}	C(C[6]C[6]2H)(OC[6a])(H)2	111.1190	0.238	2	111.1190	0.056	2	111.7227	1.121	3	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	112.9300	0.000	1	112.9300	0.000	1	111.7227	1.121	3	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.8027	0.599	3	110.8027	0.358	3	110.8333	0.484	8	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.4230	0.000	1	110.4230	0.000	1	110.8333	0.484	8	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.2535	0.660	2	110.2535	0.435	2	110.8333	0.484	8	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OS)(H)2	111.5830	0.000	1	111.5830	0.000	1	110.8333	0.484	8	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	111.7450	0.000	1	111.7450	0.000	1	110.8333	0.484	8	111.2332	0.763	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<2>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{4|C<3>}	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	112.4940	0.000	1	112.4940	0.000	1	112.2050	0.191	8	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(CCHH)(H){1|O<1>,6|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2{4|C<3>}	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	112.1637	0.455	7	112.1637	0.207	7	112.2050	0.191	8	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(COO)(H)2	109.4190	0.000	1	109.4190	0.000	1	109.7713	3.941	3	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	109.9475	2.774	2	109.9475	7.695	2	109.7713	3.941	3	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:O-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(NOO)(H)2	109.9570	0.000	1	109.9570	0.000	1	109.9290	0.055	3	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	109.6810	0.000	1	109.6810	0.000	1	109.9290	0.055	3	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	110.1490	0.000	1	110.1490	0.000	1	109.9290	0.055	3	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	111.7421	5.103	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:S-2:H-1:	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]HS)(H){1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(SC[6a])(H)	108.5535	0.958	2	108.5535	0.918	2	108.5535	0.918	2	108.5535	0.918	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:3:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(COO)2(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]H)(COO)2(H)	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C[6](C[6]C[6]HH)2(CB[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	110.0920	0.000	2	110.0920	0.000	2	110.0920	0.000	2	110.0920	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,5,6]C[6]H)(CH3)(H)2	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,5,6]C[6]H)(CH3)(H)2	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	114.8880	2.929	2	114.8880	8.578	2	112.6377	19.481	3	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	108.1370	0.000	1	108.1370	0.000	1	112.6377	19.481	3	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2{5|C<4>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	112.4415	0.158	2	112.4415	0.025	2	112.4415	0.025	2	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5]-4:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	112.1700	0.000	1	112.1700	0.000	1	112.1700	0.000	1	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	113.1040	0.000	1	113.1040	0.000	1	112.5210	6.633	3	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	112.2295	3.572	2	112.2295	12.756	2	112.5210	6.633	3	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	111.4150	0.000	1	111.4150	0.000	1	109.0039	84.844	11	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.4785	2.190	2	112.4785	4.796	2	109.0039	84.844	11	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CCCN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2H)(CCCN)(H)2	94.0721	15.133	2	94.0721	229.016	2	109.0039	84.844	11	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CN[6]HH)(H)2	113.1840	5.629	2	113.1840	31.681	2	109.0039	84.844	11	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.3040	2.324	2	111.3040	5.399	2	109.0039	84.844	11	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CN[6]HH)(H)2	112.7755	5.263	2	112.7755	27.699	2	109.0039	84.844	11	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)2(H)2	112.9640	0.000	2	112.9640	0.000	2	112.9640	0.000	2	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:S-4:Br-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2	C(C[6]C[6]2H)(SC[6a]OO)(Br)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]2H)(SC[6a]OO)(Br)(H)	112.9820	0.000	1	112.9820	0.000	1	112.9820	0.000	1	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	111.9733	0.838	4	111.9733	0.702	4	112.4559	1.323	12	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5a]HH)(H)2	111.2690	0.000	1	111.2690	0.000	1	112.4559	1.323	12	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.2820	0.000	1	112.2820	0.000	1	112.4559	1.323	12	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0045	1.286	6	113.0045	1.655	6	112.4559	1.323	12	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)2(H)2	111.6610	0.000	1	112.7777	0.935	3	112.7777	0.935	3	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)2(H)2	113.3360	0.000	2	112.7777	0.935	3	112.7777	0.935	3	111.5715	26.205	40	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:3:1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(P[6]C[6]CW)(CCCH)(H)	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	C[6](C[6]C[6]HH)(P[6]C[6]CW)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2{1|W<6>,3|C<4>}	C(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H)	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2	C(C[6]B[5,6]C[6]H)(CH3)2(H)	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C(C[6]B[5,6]C[6]H)(CH3)2(H)	112.5970	5.368	2	112.5970	28.819	2	112.5970	28.819	2	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	C(C[6]B[6]C[6]H)(CH3)2(H)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]B[6]C[6]H)(CH3)2(H)	111.9710	0.420	2	111.9710	0.176	2	111.9710	0.176	2	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	110.8580	0.000	1	110.8580	0.000	1	112.7085	6.849	2	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[4,6]C[6]H)(CH3)2(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[4,6]C[6]H)(CH3)2(H)	114.5590	0.000	1	114.5590	0.000	1	112.7085	6.849	2	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	111.4565	1.049	2	111.4565	1.100	2	112.7416	1.343	11	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.3240	0.516	2	112.3240	0.266	2	112.7416	1.343	11	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.4840	1.113	3	112.7867	1.193	4	112.7416	1.343	11	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.6950	0.000	1	112.7867	1.193	4	112.7416	1.343	11	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	114.1260	0.882	2	114.1260	0.779	2	112.7416	1.343	11	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.1980	0.000	1	113.1980	0.000	1	112.7416	1.343	11	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]B[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.8940	0.000	1	112.8940	0.000	1	112.8940	0.000	1	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	113.5640	0.000	1	113.5640	0.000	1	113.8997	0.091	3	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(Cl)	113.9870	0.000	1	113.9870	0.000	1	113.8997	0.091	3	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	114.1480	0.000	1	114.1480	0.000	1	113.8997	0.091	3	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:F-1:	C[6](C[6]C[6]HH)2(CCCF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(F)	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	110.7950	0.000	1	110.7950	0.000	1	113.0483	3.969	3	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	114.1750	0.567	2	114.1750	0.322	2	113.0483	3.969	3	112.7285	2.878	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)2(CC[3]CO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	114.1353	0.437	3	114.1353	0.191	3	114.1353	0.191	3	113.8220	0.488	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:N-2:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CH3)2(NC)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(NC)	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	113.8220	0.488	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	113.8220	0.488	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.1795	0.563	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	112.1795	0.563	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	114.6543	3.363	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	115.7873	1.623	4	115.7873	2.636	4	114.9792	3.149	6	114.6543	3.363	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.3630	0.064	2	113.3630	0.004	2	114.9792	3.149	6	114.6543	3.363	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.0290	0.493	5	112.0290	0.243	5	111.9690	0.216	6	111.9690	0.216	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.6690	0.000	1	111.6690	0.000	1	111.9690	0.216	6	111.9690	0.216	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]O[6]H)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	112.4418	0.888	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)3	111.5650	0.000	1	111.5650	0.000	1	111.8430	0.238	3	112.4418	0.888	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	112.4060	0.000	1	112.4060	0.000	1	111.8430	0.238	3	112.4418	0.888	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5580	0.000	1	111.5580	0.000	1	111.8430	0.238	3	112.4418	0.888	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	112.4418	0.888	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.4158	1.092	4	112.4158	1.191	4	112.1980	0.860	6	112.1980	0.860	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	112.0440	0.000	1	112.0440	0.000	1	112.1980	0.860	6	112.1980	0.860	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CHHO)(H)2	111.4810	0.000	1	111.4810	0.000	1	112.1980	0.860	6	112.1980	0.860	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]HW)(C[6]N[6]CH)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	111.3134	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	112.1800	0.000	1	112.1800	0.000	1	111.2744	1.715	5	111.3134	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.8340	0.962	2	111.8340	0.925	2	111.2744	1.715	5	111.3134	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.3660	0.000	1	111.3660	0.000	1	111.2744	1.715	5	111.3134	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	109.1580	0.000	1	109.1580	0.000	1	111.2744	1.715	5	111.3134	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	111.3134	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H){1|N<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(H)3	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.3134	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H)	C(C[6]C[3x6]C[6]H)(CCO)(H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3x6]CH)(C[6]O[6]O)(CCO)(H){1|H<1>,2|C<4>}	C(C[6]C[3x6]C[6]H)(CCO)(H)2	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	108.1205	0.139	2	108.1205	0.019	2	109.2670	3.953	3	109.2670	3.953	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCCH)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.5600	0.000	1	111.5600	0.000	1	109.2670	3.953	3	109.2670	3.953	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:3:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	113.2674	1.505	5	113.2674	2.265	5	113.2674	2.265	5	113.2674	2.265	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.4200	0.000	1	109.4200	0.000	1	110.1115	0.956	2	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]CH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	110.8030	0.000	1	110.8030	0.000	1	110.1115	0.956	2	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(CH3)(H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:B[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	113.1587	1.169	3	113.1587	1.367	3	113.1587	1.367	3	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|N<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]N[6]O)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(F)3	112.5382	0.896	6	112.5382	0.804	6	112.5382	0.804	6	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|Br<1>,1|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.5890	0.000	1	112.5890	0.000	1	112.6114	0.786	7	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|C<3>,3|O<2>}	C(C[6]C[6]2H)(H)3	114.3850	0.000	1	114.3850	0.000	1	112.6114	0.786	7	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.4380	0.000	1	112.4380	0.000	1	112.6114	0.786	7	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1360	0.247	2	111.9753	0.108	3	112.6114	0.786	7	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6540	0.000	1	111.9753	0.108	3	112.6114	0.786	7	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.9420	0.000	1	112.9420	0.000	1	112.6114	0.786	7	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H)	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)2(I)	108.7330	0.000	1	108.7330	0.000	1	110.3025	1.171	4	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)2(I)	110.9480	0.000	1	110.9480	0.000	1	110.3025	1.171	4	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)2(I)	111.0860	0.000	1	111.0860	0.000	1	110.3025	1.171	4	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H)	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)2(I)	110.4430	0.000	1	110.4430	0.000	1	110.3025	1.171	4	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	109.8960	0.000	1	111.7533	6.125	3	111.7533	6.125	3	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.6820	2.660	2	111.7533	6.125	3	111.7533	6.125	3	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H){1|S<4>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.4955	0.409	2	110.4955	0.168	2	110.9965	1.312	4	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.6730	0.000	1	112.6730	0.000	1	110.9965	1.312	4	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.3220	0.000	1	110.3220	0.000	1	110.9965	1.312	4	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	114.8490	0.000	1	114.4770	0.277	2	114.4770	0.277	2	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	114.1050	0.000	1	114.4770	0.277	2	114.4770	0.277	2	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	113.5815	0.937	2	113.5815	0.878	2	113.5815	0.878	2	112.0423	2.975	36	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CN)(H)2	112.9540	0.000	1	112.9540	0.000	1	112.9540	0.000	1	114.2954	1.928	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	116.1470	0.040	2	116.1470	0.002	2	114.7113	6.184	3	114.2954	1.928	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	111.8400	0.000	1	111.8400	0.000	1	114.7113	6.184	3	114.2954	1.928	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	114.2954	1.928	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6a]C[6]H)(CHHO)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(OH)(H)2	114.3175	0.211	2	114.3175	0.045	2	114.3175	0.045	2	114.2954	1.928	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OH)(H)2	113.7190	0.000	1	113.7190	0.000	1	114.3065	0.690	2	114.2954	1.928	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OC)(H)2	114.8940	0.000	1	114.8940	0.000	1	114.3065	0.690	2	114.2954	1.928	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,3|C<4>}	C(C[6]C[6]2H)(COO)(H)2	111.1690	0.359	2	111.1690	0.129	2	112.8685	1.287	8	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CCN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCN)(H)2	113.2590	0.432	3	113.2590	0.186	3	112.8685	1.287	8	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	114.1810	0.000	1	114.1810	0.000	1	112.8685	1.287	8	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	113.5860	0.000	1	113.3260	0.135	2	112.8685	1.287	8	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	113.0660	0.000	1	113.3260	0.135	2	112.8685	1.287	8	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	111.9240	0.000	1	111.9240	0.000	1	111.9240	0.000	1	112.2255	3.024	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[6]2H)(COO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(COO)(OC)(H)	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6]HH)(H){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	112.7170	0.000	1	112.7170	0.000	1	109.2178	3.934	5	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	108.0720	0.000	1	108.0720	0.000	1	109.2178	3.934	5	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	108.5780	0.454	2	108.5780	0.206	2	109.2178	3.934	5	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	108.1440	0.000	1	108.1440	0.000	1	109.2178	3.934	5	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CCHH)(H){1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.1660	0.000	1	112.1660	0.000	1	112.6137	0.545	7	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.3970	0.000	1	112.3970	0.000	1	112.6137	0.545	7	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	112.7466	0.856	5	112.7466	0.733	5	112.6137	0.545	7	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6a]C[6]H)(CCHH)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2H)(CC[3]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[3]HH)(H)2	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CC)(CCHH)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C(C[6]C[6]2H)(CHHO)(H)2	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	111.6740	0.000	1	111.6740	0.000	1	111.6740	0.000	1	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	C(C[6]C[6]2H)(CN[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CN[6]HH)(H)2	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	111.4676	3.396	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:S-4:C-3:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]2H)(SC[6a]OO)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CCHS)(H){1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	C(C[6]C[6]2H)(SC[6a]OO)(CCH)(H)	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	110.5810	0.000	1	112.3770	6.451	2	112.3770	6.451	2	112.3770	6.451	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.1730	0.000	1	112.3770	6.451	2	112.3770	6.451	2	112.3770	6.451	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	114.1870	8.177	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCCO)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	116.2090	0.000	1	116.2090	0.000	1	116.2090	0.000	1	114.1870	8.177	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:B[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	113.7703	2.606	3	113.7703	6.789	3	113.7703	6.789	3	113.7703	6.789	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)(CCO){1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.4810	0.000	1	113.4810	0.000	1	113.2415	0.115	2	113.2415	0.115	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(COO){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.0020	0.000	1	113.0020	0.000	1	113.2415	0.115	2	113.2415	0.115	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:3:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	114.8010	0.000	1	114.8010	0.000	1	114.8010	0.000	1	113.2670	4.706	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	111.7330	0.000	1	111.7330	0.000	1	111.7330	0.000	1	113.2670	4.706	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CHHO)(CH3){2|C<4>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	114.4880	0.000	1	114.4880	0.000	1	114.4880	0.000	1	115.0520	0.636	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(CC[6a]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH){4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	115.6160	0.000	1	115.6160	0.000	1	115.6160	0.000	1	115.0520	0.636	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CF3)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|N<3>,4|H<1>}	C(C[6]C[6]2H)(F)3	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	113.7708	0.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	114.5435	0.299	2	114.5435	0.089	2	113.6526	0.885	5	113.7708	0.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]I)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.4920	0.000	1	113.4920	0.000	1	113.6526	0.885	5	113.7708	0.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.3540	0.000	1	113.3540	0.000	1	113.6526	0.885	5	113.7708	0.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HO)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.3300	0.000	1	112.3300	0.000	1	113.6526	0.885	5	113.7708	0.792	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	113.2690	0.000	1	113.2690	0.000	1	113.2690	0.000	1	114.0260	1.146	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5a]-3:C[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]N[5a])(C[6]C[6]CH)(CH3){2|C<3>,3|C<4>,7|H<1>}	C(C[6]C[6]2H)(OH)(H)2	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.0260	1.146	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3)	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	112.9950	0.000	1	112.9950	0.000	1	112.8858	1.738	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	113.9200	0.000	1	112.8640	2.169	5	112.8858	1.738	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	113.9120	0.488	2	112.8640	2.169	5	112.8858	1.738	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	111.2880	0.399	2	112.8640	2.169	5	112.8858	1.738	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	112.4310	0.000	1	112.4310	0.000	1	111.7025	0.945	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	111.3850	1.391	3	111.3850	1.934	3	111.7025	0.945	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	111.8145	0.013	2	111.8145	0.000	2	111.7025	0.945	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3)	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCl2H)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	114.2565	0.247	2	112.9597	2.262	4	113.6652	2.552	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	111.6630	0.000	2	112.9597	2.262	4	113.6652	2.552	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	115.0760	0.000	2	115.0760	0.000	2	113.6652	2.552	6	112.6278	2.322	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	114.2710	3.175	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2H)(COO)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHO)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(COO)(OC)(H)	113.0110	0.000	1	113.0110	0.000	1	113.0110	0.000	1	114.2710	3.175	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	113.0982	3.966	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[5,6]O)(CCHH)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	113.0982	3.966	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	113.0982	3.966	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H){2|Br<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2{1|In<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	113.0982	3.966	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)2(H)2	114.4960	0.000	1	114.4960	0.000	1	114.4960	0.000	1	113.0982	3.966	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	113.2940	0.000	1	113.2940	0.000	1	113.2450	0.005	2	113.2450	0.005	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:3:4:4:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)2(OC)(H)	113.1960	0.000	1	113.1960	0.000	1	113.2450	0.005	2	113.2450	0.005	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:3:3:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:3:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-2:	C[6](C[6]C[6]HH)2(CC[6a]2O)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(CC[6a]2O)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2H)(OH)	112.1760	0.960	2	112.1760	0.922	2	112.1760	0.922	2	112.1760	0.922	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(CC[6a]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]Si[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	110.6710	0.000	1	110.6710	0.000	1	111.3170	0.326	3	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	111.6400	0.161	2	111.6400	0.026	2	111.3170	0.326	3	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[5x3,5x5,21x6]C[4,6])(C[6]C[6]2H)(H)2	111.2880	3.495	2	111.2880	12.212	2	111.2880	12.212	2	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.4740	0.000	1	112.4740	0.000	1	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	112.9460	0.000	1	112.9460	0.000	1	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	112.4445	1.204	2	112.4445	1.450	2	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	113.1510	0.000	1	113.1510	0.000	1	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	110.9990	0.745	2	110.9990	0.555	2	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.5890	0.000	1	112.5890	0.000	1	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.8925	2.804	2	111.8925	7.861	2	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	111.9205	1.558	2	111.9205	2.427	2	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.5350	0.000	1	111.5350	0.000	1	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.9310	0.000	1	112.0830	1.035	7	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.1120	0.477	4	112.0830	1.035	7	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.6010	2.083	2	112.0830	1.035	7	112.0894	1.254	20	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	111.4125	0.473	2	111.4125	0.224	2	111.6560	3.018	8	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(H)2	111.7372	2.037	6	111.7372	4.148	6	111.6560	3.018	8	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2H)(H)2	111.0170	1.281	4	111.0170	1.641	4	110.9673	1.840	6	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[5a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[5a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(N[5a]N[5a]2)(C[6]C[6]2H)(H)2	110.8680	2.061	2	110.8680	4.246	2	110.9673	1.840	6	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	109.4250	0.000	1	109.4250	0.000	1	110.3713	6.381	3	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	110.8445	3.379	2	110.8445	11.419	2	110.3713	6.381	3	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	111.5876	2.312	46	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C-2:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CC[5a]CH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(CC[6a]CH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	111.1135	1.040	2	111.1135	1.082	2	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	111.5903	0.419	3	111.5903	0.176	3	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	112.7905	1.855	2	112.7905	3.440	2	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	113.4105	3.392	2	113.4105	11.506	2	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	116.1220	0.000	1	116.1220	0.000	1	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	113.0245	0.698	2	113.1860	0.289	6	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	112.8350	0.000	1	113.1860	0.289	6	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	113.4107	0.561	3	113.1860	0.289	6	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	114.5900	0.000	1	114.5900	0.000	1	112.8958	2.727	17	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:2:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	114.0036	0.874	7	114.0036	0.764	7	114.0036	0.764	7	113.1580	2.232	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6]HH)2(CC[5]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]N[5]O[5])(C[6]C[6]2H)(NCH)(H)	110.0510	0.895	2	110.0510	0.801	2	110.0510	0.801	2	111.1198	0.751	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	111.8795	1.354	2	111.8795	1.834	2	111.2289	0.611	8	111.1198	0.751	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CN[5]O)(H)	111.0120	0.513	6	111.0120	0.263	6	111.2289	0.611	8	111.1198	0.751	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	110.9040	0.000	1	110.9040	0.000	1	111.5417	0.512	3	111.1198	0.751	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	111.8605	0.643	2	111.8605	0.413	2	111.5417	0.512	3	111.1198	0.751	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	110.5765	0.361	2	110.5765	0.131	2	111.7310	0.849	7	111.7310	0.849	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	112.9010	0.000	1	112.4093	0.438	3	111.7310	0.849	7	111.7310	0.849	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	112.1635	0.716	2	112.4093	0.438	3	111.7310	0.849	7	111.7310	0.849	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(COO)(CN)	111.8680	0.042	2	111.8680	0.002	2	111.7310	0.849	7	111.7310	0.849	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	113.8650	0.000	1	113.8650	0.000	1	113.3055	0.626	2	113.3055	0.626	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:3:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	112.7460	0.000	1	112.7460	0.000	1	113.3055	0.626	2	113.3055	0.626	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	114.0722	0.545	4	114.0722	0.298	4	112.9778	1.953	12	112.9565	3.076	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	111.9190	0.000	1	111.9190	0.000	1	112.9778	1.953	12	112.9565	3.076	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	113.4585	0.303	2	113.4585	0.092	2	112.9778	1.953	12	112.9565	3.076	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	112.1465	1.546	2	112.1465	2.391	2	112.9778	1.953	12	112.9565	3.076	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	112.2165	2.826	2	112.2165	7.988	2	112.9778	1.953	12	112.9565	3.076	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	111.8830	0.000	1	111.8830	0.000	1	112.9778	1.953	12	112.9565	3.076	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]HS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HH)2(CC[6a]HS)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(SCOO)(H)	112.8285	4.297	2	112.8285	18.465	2	112.8285	18.465	2	112.9565	3.076	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	112.7390	0.686	2	112.7390	0.470	2	112.7390	0.470	2	112.0810	0.743	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)2(CC[6a]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[6]HH)2(CC[6a]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	111.9840	1.300	2	111.9840	1.689	2	111.9840	1.689	2	112.0810	0.743	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:S-4:C-2:	C[6](C[6]C[6]HH)2(CC[6a]CS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	C[6](C[6]C[6]HH)2(CC[6a]CS)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)(CN)	111.5200	0.205	2	111.5200	0.042	2	111.5200	0.042	2	112.0810	0.743	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	114.5410	0.000	1	114.5410	0.000	1	114.5410	0.000	1	114.5410	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	111.4940	0.000	1	111.4940	0.000	1	113.1442	1.138	20	113.1442	1.138	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	113.5997	0.131	3	113.2311	1.041	19	113.1442	1.138	20	113.1442	1.138	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	113.1619	1.102	16	113.2311	1.041	19	113.1442	1.138	20	113.1442	1.138	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2	C(C[6]C[3,5,6]C[6]H)(H)3	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	C(C[6]C[3,5,6]C[6]H)(H)3	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,5,6]C[6]H)(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[3,5,6]C[6]H)(H)3	112.1425	0.964	2	111.4947	0.411	7	111.4947	0.411	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,5,6]C[6]H)(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[3,5,6]C[6]H)(H)3	111.2356	0.301	5	111.4947	0.411	7	111.4947	0.411	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(H)3	112.4110	0.000	1	112.4110	0.000	1	112.2300	0.098	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	111.8690	0.000	1	111.8690	0.000	1	112.2300	0.098	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	112.4100	0.000	1	112.4100	0.000	1	112.2300	0.098	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3x6]C[6]H)(H)3	111.2260	0.000	1	111.2260	0.000	1	111.4010	0.061	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3x6]C[6]H)(H)3	111.5760	0.000	1	111.5760	0.000	1	111.4010	0.061	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[4,6]C[6]H)(H)3	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H){1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(H)3	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,5,6,6]C[6]H)(H)3	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,5,6,6]C[6]H)(H)3	112.2080	0.190	2	112.2080	0.036	2	112.2080	0.036	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2	C(C[6]C[5,5,6]C[6]H)(H)3	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,5,6]C[6]H)(H)3	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	111.1300	0.000	1	111.1300	0.000	1	111.7499	0.699	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]O[5,6])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6,6]C[6]H)(H)3	110.8220	0.000	1	110.8220	0.000	1	111.7499	0.699	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[6]H)(H)3	112.3980	0.198	2	112.3980	0.039	2	111.7499	0.699	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[6]H)(H)3	113.0780	0.000	1	112.0618	0.492	5	111.7499	0.699	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(H){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[6]H)(H)3	111.8077	0.475	4	112.0618	0.492	5	111.7499	0.699	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6,6]C[6]H)(H)3	110.4420	0.000	1	110.4420	0.000	1	111.7499	0.699	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:Br-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br)	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[5,6]C[6]Br)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(CH3)(Br){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]BrC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]Br)(H)3	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2	C(C[6]C[5,6]C[6]Cl)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]Cl)(H)3	109.6305	0.084	2	109.6305	0.007	2	109.6305	0.007	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H)	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	108.8615	0.018	2	108.8615	0.000	2	108.8615	0.000	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[5,6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2{2|C<4>,3|C<3>,3|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2{2|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.3210	0.000	1	109.3210	0.000	1	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.4603	0.783	4	111.4603	0.614	4	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	110.4230	0.000	1	110.4230	0.000	1	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2C)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.8335	0.668	2	109.8335	0.447	2	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.4500	0.000	1	110.1095	3.594	2	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	108.7690	0.000	1	110.1095	3.594	2	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	108.5150	0.000	2	108.5150	0.000	2	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	109.7380	0.000	1	109.7380	0.000	1	110.1722	1.602	13	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	113.7640	0.000	1	113.7640	0.000	1	112.1997	1.610	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.8130	0.000	1	111.6975	1.565	2	112.1997	1.610	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	112.5820	0.000	1	111.6975	1.565	2	112.1997	1.610	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.6400	0.000	1	111.6400	0.000	1	112.1997	1.610	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(F)3	C[6](C[5,6]C[6,6a]C[5]S[5])(C[6]C[6]HH)(CF3)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C(C[6]C[5,6]C[6]H)(F)3	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.8190	0.000	1	109.8190	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.8600	0.000	1	110.8600	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.1710	0.000	1	110.1710	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.4500	0.000	1	110.4500	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.5395	0.438	2	111.5395	0.192	2	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.0530	0.000	1	109.0530	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.5120	0.000	1	111.5120	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.6880	0.000	1	110.6726	0.619	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.5850	0.000	1	110.6726	0.619	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.5900	0.000	1	110.6726	0.619	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.1000	0.000	1	110.6726	0.619	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.1980	0.000	1	110.6726	0.619	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	111.2680	0.000	1	110.6726	0.619	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.2790	0.000	1	110.6726	0.619	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.4953	0.373	3	110.4953	0.139	3	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	112.7430	0.000	1	112.7430	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.0813	0.686	3	110.7134	0.726	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.1875	0.663	4	110.7134	0.726	7	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	113.3670	0.024	2	113.3670	0.001	2	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CH3)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.5910	0.000	1	111.5910	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.5500	1.177	2	110.5500	1.384	2	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[5,6]C[6]H)(H)3	112.6565	0.844	2	112.6565	0.712	2	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.6450	0.000	1	111.6450	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.5540	0.000	1	110.6455	0.017	2	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.7370	0.000	1	110.6455	0.017	2	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	111.9670	0.000	1	111.9670	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.5830	0.000	1	109.5830	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	110.6470	1.325	3	110.6470	1.756	3	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	112.2780	0.306	3	110.2018	2.057	11	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	109.5460	0.542	7	110.2018	2.057	11	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	108.5640	0.000	1	110.2018	2.057	11	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	112.1235	0.713	2	112.1235	0.509	2	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(H){1|I<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.9020	0.000	1	110.9020	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	110.8750	0.000	1	110.8750	0.000	1	110.8622	1.406	56	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:Br-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br)	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]Br)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(Br){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]Br)(H)3	112.9450	0.000	1	112.9450	0.000	1	112.9450	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.5050	0.000	1	110.5050	0.000	1	109.9113	0.285	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.6145	0.204	2	109.6145	0.042	2	109.9113	0.285	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.0770	0.000	1	109.7805	0.196	4	110.1572	0.905	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.2900	0.000	1	109.7805	0.196	4	110.1572	0.905	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.8775	0.490	2	109.7805	0.196	4	110.1572	0.905	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.0130	1.174	3	111.0130	1.379	3	110.1572	0.905	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	108.7520	0.000	1	108.7520	0.000	1	110.1572	0.905	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.3295	0.019	2	110.3295	0.000	2	110.1572	0.905	10	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	113.6860	0.314	3	113.6860	0.098	3	113.6860	0.098	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(F)3	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]C[6]HH)(CF3)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C(C[6]C[6,6]C[6]H)(F)3	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.7570	0.000	1	110.7570	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	108.7140	0.000	1	108.7140	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9470	0.000	1	109.9470	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	107.8480	0.000	1	109.0520	2.899	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.2560	0.000	1	109.0520	2.899	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.1930	0.000	1	110.0865	0.023	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9800	0.000	1	110.0865	0.023	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)2(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.1280	0.000	1	109.1280	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.2740	0.000	1	110.2740	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.4530	0.000	1	112.4530	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.7070	0.000	1	109.7070	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.0610	0.033	2	110.2577	0.117	3	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.6510	0.000	1	110.2577	0.117	3	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.1670	0.396	2	111.0319	0.151	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.2415	0.425	2	111.0319	0.151	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.2620	0.000	1	111.0319	0.151	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.0453	0.300	6	111.0319	0.151	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.7880	0.000	1	111.7880	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2{2|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.2540	0.000	2	110.2540	0.000	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.1210	0.000	1	112.1210	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	106.9530	0.000	1	106.9530	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9620	0.403	2	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.7820	0.000	1	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.6550	0.873	2	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.7920	0.000	1	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9650	0.000	1	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	110.6110	0.660	4	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.5495	0.227	4	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9440	0.369	2	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.8340	0.000	1	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.5440	0.000	1	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.9190	0.000	1	110.2800	0.300	20	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.6860	0.000	1	109.9375	0.127	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.1890	0.000	1	109.9375	0.127	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.1430	0.000	1	111.1430	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.4835	0.486	2	110.4835	0.236	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	106.9860	0.000	1	106.9860	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.4870	0.000	1	110.0999	2.592	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.6120	0.649	2	110.0999	2.592	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.2330	0.000	1	110.0999	2.592	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.3880	0.000	1	110.0999	2.592	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.6420	0.000	1	110.0999	2.592	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	108.4505	0.120	2	110.0999	2.592	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.7413	2.492	3	110.0999	2.592	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.2750	0.000	1	111.5563	1.231	3	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.1970	0.000	2	111.5563	1.231	3	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.6940	0.000	1	111.6940	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.8250	0.000	1	112.8250	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.1680	0.000	1	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.9130	0.000	1	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.4860	0.000	1	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.3160	0.000	1	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.7770	0.815	2	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.4540	0.000	1	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.3290	0.000	1	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.7370	0.000	1	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.2970	0.445	2	111.2319	0.965	11	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	108.8725	0.121	2	108.8725	0.015	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.6360	0.000	1	112.6360	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	112.6630	0.000	1	112.6630	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.4450	0.000	1	111.4450	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.9630	0.000	1	110.9630	0.000	1	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.8795	0.619	2	110.3740	0.958	3	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(H){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.3630	0.000	1	110.3740	0.958	3	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	111.7620	0.334	2	111.7620	0.111	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.5020	0.332	2	110.5020	0.110	2	110.5444	1.437	96	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:I-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2	C(C[6]C[6,6]C[6]I)(H)3	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(I){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]I)(H)3	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H)	C(C[6]C[6]2Br)(H)3	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]BrC)(Br)(H){2|H<1>,4|C<4>}	C(C[6]C[6]2Br)(H)3	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2	C(C[6]C[6]2Br)(H)3	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(CH3)(Br){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C(C[6]C[6]2Br)(H)3	112.3460	0.000	1	112.3460	0.000	1	111.6073	0.460	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2Br)(H)3	C[6](C[6]C[6]HH)2(CH3)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2Br)(H)3	111.4640	0.000	1	111.4640	0.000	1	111.6073	0.460	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Br-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(Br)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2	C(C[6]C[6]2Br)(H)3	C[6](C[6]C[6]HH)2(CH3)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2Br)(H)3	111.0120	0.000	1	111.0120	0.000	1	111.6073	0.460	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(H)3	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(H)3	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	115.8500	0.000	1	115.8500	0.000	1	115.8500	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cl)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(Cl)(H)2	114.5160	0.000	1	114.5160	0.000	1	114.5160	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	110.8520	0.000	1	110.8520	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	110.1560	0.000	1	110.1560	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	112.0420	0.000	1	112.0420	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl){2|H<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	110.5310	0.000	1	110.5310	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	109.2120	0.000	1	109.2120	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	112.0750	0.000	1	112.0750	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl){1|Cl<1>,1|F<1>,2|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2Cl)(H)3	111.2400	0.000	1	111.2400	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]HH)2(CH3)(Cl){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	112.2860	0.000	1	112.2860	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]HH)2(CH3)(Cl){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	112.0910	0.000	1	112.0910	0.000	1	111.1650	1.131	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2	C(C[6]C[6]2F)(Cl)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6]2F)(Cl)(H)2	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C(C[6]C[6]2F)(Cl)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2F)(Cl)(H)2	115.0580	0.000	1	115.0580	0.000	1	115.0580	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C(C[6]C[6]2F)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2F)(H)3	113.5850	0.000	1	113.5850	0.000	1	113.5262	0.316	5	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(F)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	C(C[6]C[6]2F)(H)3	C[6](C[6]C[6]HH)2(CH3)(F){1|N<3>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2F)(H)3	113.9775	0.260	2	113.5115	0.421	4	113.5262	0.316	5	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(F)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	C(C[6]C[6]2F)(H)3	C[6](C[6]C[6]HH)2(CH3)(F){1|N<3>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2F)(H)3	113.0455	0.571	2	113.5115	0.421	4	113.5262	0.316	5	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,4|C<4>}	C(C[6]C[6]2H)(F)3	104.7390	0.000	1	104.7390	0.000	1	104.7390	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.9120	0.000	1	109.9120	0.000	1	110.3899	8.243	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|F<1>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.4840	0.000	1	112.4840	0.000	1	110.3899	8.243	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	113.3435	0.846	2	113.3435	0.716	2	110.3899	8.243	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.8750	0.000	1	109.8750	0.000	1	110.3899	8.243	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	106.8855	1.361	2	106.8855	1.853	2	110.3899	8.243	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.1040	0.000	1	111.6020	2.191	3	111.4555	2.908	8	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.8510	2.003	2	111.6020	2.191	3	111.4555	2.908	8	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.2630	0.000	1	110.3553	1.275	3	111.4555	2.908	8	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	111.5280	0.000	1	110.3553	1.275	3	111.4555	2.908	8	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	109.2750	0.000	1	110.3553	1.275	3	111.4555	2.908	8	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.2070	0.000	1	111.2070	0.000	1	111.4555	2.908	8	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.5650	0.000	1	114.5650	0.000	1	111.4555	2.908	8	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{3|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.0270	0.000	1	109.8936	0.247	5	109.8936	0.247	5	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.3420	0.000	1	109.8936	0.247	5	109.8936	0.247	5	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.3340	0.000	1	109.8936	0.247	5	109.8936	0.247	5	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	109.3825	0.226	2	109.8936	0.247	5	109.8936	0.247	5	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	109.9110	0.000	1	109.6045	4.437	4	109.6045	4.437	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.8410	0.000	1	109.6045	4.437	4	109.6045	4.437	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	106.5420	0.000	1	109.6045	4.437	4	109.6045	4.437	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.1240	0.000	1	109.6045	4.437	4	109.6045	4.437	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,6|C<4>}	C(C[6]C[6]2H)(H)3	109.9585	0.037	2	109.9585	0.001	2	109.9585	0.001	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[5,5,4x6]C[5,5,6,6]C[5,3x6]N[5,6,6])(C[6]C[6]CH)(H)2{4|H<1>,7|C<4>}	C(C[6]C[6]2H)(H)3	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2{1|I<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.6975	0.967	16	110.6975	0.934	16	110.9450	1.028	22	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.1680	0.000	1	111.1703	0.172	3	110.9450	1.028	22	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.1715	0.586	2	111.1703	0.172	3	110.9450	1.028	22	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1820	0.000	1	112.1820	0.000	1	110.9450	1.028	22	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.8540	0.000	1	110.8540	0.000	1	110.9450	1.028	22	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.0820	0.000	1	113.0820	0.000	1	110.9450	1.028	22	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|W<7>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(F)3	109.2865	3.854	2	109.2865	14.857	2	109.2865	14.857	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|I<1>,1|N<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2989	0.575	16	111.2989	0.330	16	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.4180	0.238	3	111.4180	0.057	3	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.7960	0.000	1	109.7960	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.0680	0.000	1	112.2238	2.157	5	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.9640	0.000	1	112.2238	2.157	5	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.7255	0.439	2	112.2238	2.157	5	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.6360	0.000	1	112.2238	2.157	5	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2870	0.000	1	111.2870	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	109.7030	0.000	2	109.7030	0.000	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.7964	0.127	5	111.6897	0.352	10	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.6320	0.000	1	111.6897	0.352	10	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.5708	0.998	4	111.6897	0.352	10	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.0440	0.000	1	112.0440	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.0550	0.195	2	110.7460	0.305	3	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.1280	0.000	1	110.7460	0.305	3	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.3510	0.000	1	111.2825	0.753	6	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.3050	0.000	1	111.2825	0.753	6	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.2597	1.119	4	111.2825	0.753	6	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.0700	0.000	1	111.5081	0.381	10	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.5758	0.842	5	111.5081	0.381	10	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.2170	0.000	1	111.5081	0.381	10	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.6383	0.347	3	111.5081	0.381	10	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6470	0.000	1	111.3840	0.138	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.1210	0.000	1	111.3840	0.138	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3840	0.000	1	111.2225	0.052	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.0610	0.000	1	111.2225	0.052	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2240	0.000	1	111.2240	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.1520	0.000	1	110.1520	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	110.4190	0.015	4	110.1991	2.146	11	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	109.6220	0.755	2	110.1991	2.146	11	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ga<4>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	109.5850	0.000	1	110.1991	2.146	11	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ni<4>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	109.5300	0.000	1	110.1991	2.146	11	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|P<3>,3|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	108.9765	0.435	2	110.1991	2.146	11	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{2|N<3>,3|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	114.2020	0.000	1	110.1991	2.146	11	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6]2H)(H)3	109.7535	0.310	2	109.7535	0.096	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.4315	0.209	2	111.4315	0.044	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.6080	0.666	3	110.6080	0.443	3	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	110.7860	0.727	2	110.7860	0.528	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.1035	0.197	2	110.1035	0.039	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.2210	0.000	1	111.2210	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.2970	0.000	1	111.2970	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4150	0.000	1	111.4150	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.8660	0.049	2	110.8660	0.002	2	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.8465	0.456	4	111.8465	0.208	4	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.8355	0.238	4	110.8355	0.057	4	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.8570	0.000	1	110.8570	0.000	1	111.1260	0.886	100	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HI)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.2030	0.000	1	111.7185	2.030	8	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.2775	1.428	2	111.7185	2.030	8	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.4960	0.000	1	111.7185	2.030	8	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.3990	0.000	1	111.7185	2.030	8	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.0500	0.000	1	111.7185	2.030	8	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.0225	0.129	2	111.7185	2.030	8	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	108.5890	0.000	3	108.5890	0.000	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.6690	0.000	1	111.5462	0.745	5	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.0950	0.641	2	111.5462	0.745	5	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.9360	1.358	2	111.5462	0.745	5	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6400	0.000	1	111.8535	4.010	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.1900	2.203	2	111.8535	4.010	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.3940	0.000	1	111.8535	4.010	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,3x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.3885	0.049	2	111.3885	0.002	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,4x6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.6410	0.000	1	112.6410	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.3760	0.000	1	111.3760	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	113.4690	0.000	1	112.9953	0.348	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	112.7585	0.600	2	112.9953	0.348	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.4650	0.000	1	110.4650	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2{2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	112.3890	0.000	1	112.3890	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	109.8110	0.000	1	109.8110	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.1560	0.000	1	110.1560	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.2120	0.000	2	110.8105	0.215	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.4090	0.000	2	110.8105	0.215	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.4220	0.000	1	113.4220	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.1785	0.194	2	111.1785	0.038	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.9140	0.000	1	109.9140	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	109.5870	0.000	1	109.5870	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4910	0.000	1	111.4910	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|F<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.0600	0.020	2	112.0600	0.000	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.6090	0.000	1	112.6090	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.6530	0.000	1	111.6530	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.5530	0.000	1	111.6599	0.727	23	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.8994	0.626	14	111.6599	0.727	23	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.7947	0.616	3	111.6599	0.727	23	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.3030	1.638	2	111.6599	0.727	23	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.6830	0.453	2	111.6599	0.727	23	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.6770	0.000	1	111.6599	0.727	23	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.1364	1.291	10	111.8876	1.533	13	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.0583	0.599	3	111.8876	1.533	13	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.4030	0.000	1	110.4030	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2210	0.000	1	112.3462	0.571	6	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.5670	0.000	1	112.3462	0.571	6	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.9560	0.000	1	112.3462	0.571	6	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	112.2860	0.000	1	112.3462	0.571	6	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.0235	0.684	2	112.3462	0.571	6	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4030	0.000	1	111.0903	0.761	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.9340	1.172	2	111.0903	0.761	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3530	0.000	1	111.3530	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.6160	0.000	1	110.6160	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2{4|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.9730	0.000	1	110.9730	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3770	0.000	1	111.3770	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3383	1.475	3	111.1308	1.622	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.5080	0.000	1	111.1308	1.622	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<2>,1|S<3>,2|H<1>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2{1|O<1>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.1017	0.666	4	110.1017	0.443	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.3520	0.000	1	111.5873	0.067	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.5450	0.000	1	111.5873	0.067	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.8650	0.000	1	111.5873	0.067	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	114.9760	0.000	1	114.9760	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0043	2.087	3	112.0043	4.356	3	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CH3)(H){1|S<4>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,7|H<1>}	C(C[6]C[6]2H)(H)3	114.0455	1.918	2	114.0455	3.680	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]O[6]CO)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	112.2550	0.000	1	112.2550	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	109.1060	0.000	1	109.1060	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	110.4920	0.000	2	110.4920	0.000	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.5930	0.000	2	110.5930	0.000	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.0080	0.000	1	111.0080	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.9560	0.000	1	110.8750	0.033	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8480	0.211	3	110.8750	0.033	4	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5590	0.000	1	110.5590	0.000	1	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.1300	0.000	1	111.0610	1.734	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	111.9920	0.000	1	111.0610	1.734	2	111.4757	1.612	126	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]BrH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(Br)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	113.3285	1.027	2	113.3285	1.056	2	113.3285	1.056	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	113.3360	0.000	1	113.3360	0.000	1	112.7995	0.576	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.2630	0.000	1	112.2630	0.000	1	112.7995	0.576	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5720	0.000	1	111.5720	0.000	1	112.1847	0.542	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.1090	0.000	1	111.1090	0.000	1	112.1847	0.542	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.1625	0.788	2	113.1625	0.622	2	112.1847	0.542	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1120	0.000	1	112.1312	0.064	5	112.1847	0.542	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.0737	0.323	3	112.1312	0.064	5	112.1847	0.542	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3230	0.000	1	112.1312	0.064	5	112.1847	0.542	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Br-1:Br-1:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(Br)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(Br)3	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CBrHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(Br)(H)2	C[6](C[6]C[6]HH)2(CBrHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(Br)(H)2	108.7430	0.000	1	108.7430	0.000	1	110.4115	5.568	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CBrHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(Br)(H)2	C[6](C[6]C[6]HH)2(CBrHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(Br)(H)2	112.0800	0.000	1	112.0800	0.000	1	110.4115	5.568	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(Cl)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(Cl)3	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CF3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	C(C[6]C[6]2H)(F)3	107.7350	0.000	1	107.7350	0.000	1	110.5593	2.032	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)2(CF3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(F)3	110.7805	0.866	2	110.7805	0.750	2	110.5593	2.032	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]HH)2(CF3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(F)3	111.6720	0.694	2	111.6720	0.482	2	110.5593	2.032	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CF3)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(F)3	110.6375	0.631	2	110.6375	0.399	2	110.5593	2.032	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]B[6a]C[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|B<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.8920	0.337	3	109.8920	0.114	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.3580	0.000	1	111.3580	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.0770	0.000	1	110.4131	0.357	29	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.4251	0.605	28	110.4131	0.357	29	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.2990	0.000	1	111.2990	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	110.8515	0.663	2	110.8515	0.439	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.7180	0.058	2	109.7180	0.003	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.9390	0.000	1	110.9390	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	114.3150	0.000	1	114.3150	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.3160	0.000	1	112.3160	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	110.6270	0.513	2	110.6270	0.264	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.0670	0.000	1	112.0670	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.5960	0.000	1	110.3779	0.964	15	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(H)3	110.2356	0.729	10	110.3779	0.964	15	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.4750	1.611	2	110.3779	0.964	15	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(H)3	109.3830	0.226	2	110.3779	0.964	15	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.4310	0.000	1	110.4310	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.7130	0.000	1	110.5305	0.067	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.3480	0.000	1	110.5305	0.067	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.8375	0.249	4	110.8375	0.062	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4700	0.000	1	111.0330	0.433	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6577	0.123	3	111.0330	0.433	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2053	0.870	4	111.0330	0.433	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5640	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.1760	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1033	0.131	3	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2700	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.2250	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7040	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5200	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3780	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.5850	0.000	1	111.5211	0.585	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.8363	0.734	3	110.8363	0.538	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2850	0.515	8	111.5528	0.385	21	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.2785	0.165	2	111.5528	0.385	21	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5885	0.281	2	111.5528	0.385	21	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4333	0.622	3	111.5528	0.385	21	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.8740	0.000	1	111.5528	0.385	21	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6425	0.978	2	111.5528	0.385	21	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3787	0.735	3	111.5528	0.385	21	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6800	0.000	1	112.1482	1.089	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.5153	0.744	4	112.1482	1.089	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7020	0.000	1	110.7020	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	108.6610	0.000	1	108.6610	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	106.0715	0.589	2	106.0715	0.347	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7590	0.000	1	110.7590	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	110.1530	0.000	1	110.3655	0.090	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.5780	0.000	1	110.3655	0.090	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	110.0585	0.050	2	110.0585	0.003	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	108.5525	0.548	2	108.5525	0.300	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	109.3900	0.000	1	109.3900	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.7900	0.000	1	110.7900	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.2680	0.000	1	109.4495	1.152	24	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	109.2062	1.076	18	109.4495	1.152	24	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(H)3	109.9614	0.536	5	109.4495	1.152	24	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.1000	0.000	1	110.2110	1.581	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	109.3220	0.000	1	110.2110	1.581	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.5832	0.467	5	109.7841	0.334	12	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.1977	0.536	3	109.7841	0.334	12	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.0300	1.032	2	109.7841	0.334	12	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.4200	0.249	2	109.7841	0.334	12	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.3665	0.419	2	111.7737	1.618	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	112.1810	2.004	2	111.7737	1.618	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.5863	0.989	3	110.5863	0.977	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.8950	0.000	1	109.8950	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.3870	0.000	1	110.3870	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(H)3	108.8370	0.955	3	108.8370	0.912	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	108.3317	0.592	6	108.3317	0.350	6	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.1390	0.000	1	111.7404	1.113	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.8890	0.000	1	111.7404	1.113	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2880	0.000	1	111.7404	1.113	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6930	0.515	2	111.7404	1.113	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4160	0.137	2	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4705	0.679	15	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.0360	0.000	1	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.2520	0.748	2	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4170	1.157	3	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0662	0.679	13	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4050	0.000	1	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0055	0.440	4	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.1295	0.482	2	111.8890	0.561	43	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.3070	0.000	1	112.8768	4.725	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<2>,1|S<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3070	1.116	4	112.8768	4.725	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	114.0350	3.111	4	112.8768	4.725	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0930	0.000	1	112.8768	4.725	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.2550	0.000	1	113.2550	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.3320	0.000	1	110.3320	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0670	0.000	1	111.8350	0.108	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.6030	0.000	1	111.8350	0.108	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7622	0.501	4	110.8075	0.485	6	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.8980	1.284	2	110.8075	0.485	6	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	108.7380	1.157	2	108.7380	1.338	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.0005	0.754	2	113.0005	0.569	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	113.5803	2.236	4	113.5803	5.000	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3163	0.354	3	111.3163	0.125	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	110.2780	0.000	1	110.2780	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.5830	0.161	2	110.4534	0.850	16	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.5060	0.000	1	110.4534	0.850	16	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.1285	0.941	2	110.4534	0.850	16	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5093	0.743	6	110.4534	0.850	16	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.1270	0.398	4	110.4534	0.850	16	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>}	C(C[6]C[6]2H)(H)3	112.7610	0.000	1	110.4534	0.850	16	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.1900	0.000	1	112.2565	2.275	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	113.3230	0.000	1	112.2565	2.275	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	112.4540	0.000	1	112.4540	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.8900	0.000	1	111.1420	2.303	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.2680	0.151	2	111.1420	2.303	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|N<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3615	0.497	2	111.3615	0.247	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.5360	0.000	1	111.5360	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.9330	0.000	1	110.2160	0.160	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.4990	0.000	1	110.2160	0.160	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.7535	0.859	2	110.7535	0.738	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.2120	0.000	1	110.2120	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	108.9240	0.000	1	108.9240	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.9030	0.000	1	109.9030	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8170	0.000	1	110.8170	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]2H)(H)3	112.0270	0.000	1	112.0270	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]2H)(H)3	111.6960	0.000	1	112.4775	0.404	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|F<1>}	C(C[6]C[6]2H)(H)3	112.7380	0.446	3	112.4775	0.404	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.8210	0.000	1	109.9795	0.050	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.1380	0.000	1	109.9795	0.050	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2H)(H)3	112.4190	0.000	1	111.3447	1.251	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	110.8075	0.878	2	111.3447	1.251	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.2100	0.000	1	112.2100	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.9150	0.000	1	111.3900	0.551	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	110.8650	0.000	1	111.3900	0.551	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4270	0.991	4	111.1394	1.151	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.9890	0.000	1	111.1394	1.151	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.4230	0.000	1	111.4230	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.2330	0.000	1	111.2330	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.7020	0.000	1	111.7020	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.5290	0.000	1	112.5290	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2020	0.000	1	112.0045	0.078	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8070	0.000	1	112.0045	0.078	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5625	0.439	2	111.5625	0.193	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|F<1>}	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.8260	0.000	1	110.8260	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.6050	0.000	1	112.2053	0.850	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.9970	0.000	1	112.2053	0.850	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4695	0.711	2	112.2053	0.850	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.3552	0.779	4	112.2053	0.850	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.0455	0.313	2	112.2053	0.850	10	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.2660	0.099	2	113.2660	0.010	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Au<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.4660	0.276	2	112.3175	0.403	12	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.5810	0.511	2	112.3175	0.403	12	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.4645	0.577	8	112.3175	0.403	12	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.4220	0.078	2	111.4220	0.006	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.7013	0.911	7	111.7013	0.830	7	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.8657	0.382	4	110.8657	0.146	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.3595	0.569	2	111.3595	0.324	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	112.6090	0.000	1	112.6090	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.5220	0.000	1	111.5220	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	112.3466	0.724	23	112.3466	0.524	23	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5270	0.000	1	111.5270	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.9250	0.887	2	111.9250	0.786	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.1080	0.000	1	112.1080	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2000	0.000	1	111.4138	0.547	13	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.2885	0.304	4	111.4138	0.547	13	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5020	1.010	4	111.4138	0.547	13	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.2545	0.896	4	111.4138	0.547	13	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Hf<12>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.0195	0.069	2	110.8977	0.166	9	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Rh<8>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.6620	0.000	1	110.8977	0.166	9	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.5875	0.248	2	110.8977	0.166	9	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<12>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.5360	0.354	2	110.8977	0.166	9	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<14>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.0655	0.122	2	110.8977	0.166	9	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.6250	0.000	1	112.2620	1.359	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.2420	0.000	2	112.2620	1.359	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.9390	0.000	1	112.2620	1.359	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Au<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4710	0.000	1	112.4710	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.9767	0.313	3	109.9767	0.098	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5140	0.000	1	111.4725	0.003	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4310	0.000	1	111.4725	0.003	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2120	0.000	1	110.9321	0.443	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|S<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5300	0.000	1	110.9321	0.443	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8346	0.699	9	110.9321	0.443	11	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Au<2>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4160	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.0705	1.824	2	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.9562	0.386	4	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.0370	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.9921	0.453	10	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.7430	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.7560	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2290	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.0410	0.754	4	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.7343	0.205	8	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.1930	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.5297	0.792	3	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3780	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7654	0.436	7	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.7697	1.103	24	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.8166	0.693	5	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.6785	0.977	2	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4160	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.1490	0.727	2	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1606	0.745	187	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3140	0.027	2	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1509	0.717	34	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.7466	0.815	5	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6647	0.165	4	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5877	0.254	4	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0035	0.490	2	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5410	0.078	2	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.8984	6.207	14	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6030	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Fe<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5735	1.035	4	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6493	0.469	10	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.9380	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5790	0.000	1	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.9243	0.925	3	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1189	0.435	10	112.0918	1.954	363	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8304	0.336	7	110.8304	0.113	7	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.0100	0.000	1	111.0778	1.325	191	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.9360	0.000	1	111.0778	1.325	191	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.1305	0.197	2	111.0778	1.325	191	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.0794	1.166	186	111.0778	1.325	191	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8740	0.000	1	111.0778	1.325	191	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2360	0.000	1	110.9955	0.563	29	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.9869	0.763	28	110.9955	0.563	29	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.9070	0.000	1	109.9070	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	109.5886	1.187	5	109.5886	1.409	5	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	114.0850	0.000	1	113.1175	1.872	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.1500	0.000	1	113.1175	1.872	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.6450	0.000	1	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5610	0.000	1	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.1880	0.000	1	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.6180	0.609	56	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.4936	0.464	10	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.8860	0.342	12	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.9742	0.668	14	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.5452	0.627	13	111.6601	0.356	108	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.9270	0.000	1	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5895	1.008	2	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.0225	0.279	4	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.1381	0.455	9	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.6873	0.104	3	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8720	0.515	2	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.0245	0.979	4	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5127	0.904	3	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1480	0.000	1	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1030	0.000	1	111.5044	0.503	30	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Fe<6>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8162	1.292	4	110.8162	1.669	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8980	0.976	24	110.8980	0.953	24	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.5330	0.000	1	110.5330	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2270	0.000	1	111.4678	0.201	6	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4923	0.521	3	111.4678	0.201	6	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.5515	0.624	2	111.4678	0.201	6	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4720	0.000	1	111.4720	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Pt<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0600	0.000	1	112.0600	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5820	0.000	1	111.4320	0.045	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2820	0.000	1	111.4320	0.045	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.0250	0.000	1	111.1947	0.274	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|Sn<5>,1|C<4>,3|H<1>}	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2513	0.626	3	111.1947	0.274	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.0220	0.000	1	111.7977	0.704	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.6880	0.000	1	111.7977	0.704	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6830	0.000	1	111.7977	0.704	3	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.9680	0.000	1	111.6970	5.979	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	113.4260	0.000	1	111.6970	5.979	2	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.0530	0.000	1	110.5385	0.285	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.4260	0.693	2	110.5385	0.285	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.2490	0.000	1	110.5385	0.285	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.2613	0.303	4	111.1171	0.377	7	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.3130	0.943	2	111.1171	0.377	7	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.1490	0.000	1	111.1171	0.377	7	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.6647	0.211	4	110.6647	0.044	4	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>}	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4990	0.000	1	111.4990	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6090	0.000	1	111.6090	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0450	0.000	1	112.0450	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2H)(H)3	111.9460	0.000	1	111.9460	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.3980	0.000	1	112.3980	0.000	1	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3620	0.000	2	112.7386	0.292	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.8610	0.000	1	112.7386	0.292	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1890	0.000	1	112.7386	0.292	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.7580	0.303	3	112.7386	0.292	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.8610	0.000	1	112.7386	0.292	8	111.4582	1.732	1246	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)2(I)	112.4100	0.000	2	112.4100	0.000	2	111.7887	3.559	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)2(I)	111.7760	0.000	1	111.7760	0.000	1	111.7887	3.559	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)2(I)	110.8440	1.698	2	110.8440	2.885	2	111.7887	3.559	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)2(I)	110.4660	3.705	2	110.4660	13.729	2	111.7887	3.559	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HH)2(CHHI)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]HH)2(CHHI)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)2(I)	113.4410	0.584	2	113.4410	0.341	2	111.7887	3.559	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	108.7280	0.000	1	108.7280	0.000	1	109.7421	1.115	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	110.1598	0.594	4	110.1598	0.353	4	109.7421	1.115	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.4140	1.921	2	109.4140	3.688	2	109.7421	1.115	7	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.8650	0.000	1	112.8650	0.000	1	112.8650	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|Au<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	109.7765	1.217	2	109.7765	1.481	2	109.7765	1.481	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(H)3	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	108.8773	0.247	4	108.8773	0.061	4	108.8773	0.061	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]FF)2(CF3)(O)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]FF)2(CF3)(O){1|C<4>,4|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C(C[6]C[6]2O)(F)3	109.2258	0.409	4	109.2258	0.167	4	109.2258	0.167	4	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.1030	0.000	1	112.1030	0.000	1	112.2475	0.042	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	112.3920	0.000	1	112.3920	0.000	1	112.2475	0.042	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.6745	0.483	2	112.6745	0.233	2	112.6745	0.233	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]N[6]H)(H)3	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|B<4>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.5230	0.093	2	110.5230	0.009	2	113.1444	2.256	16	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.5825	0.425	2	111.5825	0.181	2	113.1444	2.256	16	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.4185	0.776	2	113.9857	0.645	11	113.1444	2.256	16	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	114.5440	0.948	3	113.9857	0.645	11	113.1444	2.256	16	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.8957	0.696	6	113.9857	0.645	11	113.1444	2.256	16	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	112.2570	0.000	1	112.2570	0.000	1	113.1444	2.256	16	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	109.3610	0.000	1	109.3610	0.000	1	111.0176	7.726	66	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.6300	0.000	1	110.2183	0.416	3	111.0176	7.726	66	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.0125	0.760	2	110.2183	0.416	3	111.0176	7.726	66	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	110.9433	3.720	36	111.0830	8.138	62	111.0176	7.726	66	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.3266	0.804	14	111.0830	8.138	62	111.0176	7.726	66	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.2179	0.416	12	111.0830	8.138	62	111.0176	7.726	66	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	C(C[6]N[5,6,6]C[6]H)(H)3	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]N[5,6,6]C[6]H)(H)3	111.6250	0.559	3	111.6250	0.312	3	111.6250	0.312	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(H)3	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]N[5,6]C[6]H)(H)3	111.9930	0.000	1	111.9930	0.000	1	111.9930	0.000	1	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]H)(H)3	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H){1|C<5>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,3|C<4>}	C(C[6]N[6,6]C[6]H)(H)3	113.9270	0.000	1	111.7570	9.418	2	112.3840	5.888	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]H)(H)3	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)(H){1|N<4>,3|H<1>,4|C<4>}	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,1|C<5>,2|C<4>}	C(C[6]N[6,6]C[6]H)(H)3	109.5870	0.000	1	111.7570	9.418	2	112.3840	5.888	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]N[6,6]C[6]H)(H)3	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	113.6380	0.000	1	113.6380	0.000	1	112.3840	5.888	3	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]AlZr)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]AlZr)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|Al<4>,1|Zr<7>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6]H)(H)3	113.1860	0.602	2	113.1860	0.363	2	110.9044	2.882	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	109.2210	0.000	1	109.2210	0.000	1	110.9044	2.882	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	109.9982	1.312	4	109.9982	1.722	4	110.9044	2.882	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(H)3	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	111.2770	0.849	2	111.2770	0.720	2	110.9044	2.882	9	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	C(C[6]C[6]P[6]H)(H)3	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	C(C[6]C[6]P[6]H)(H)3	115.0830	0.000	1	115.0830	0.000	1	117.0580	7.801	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	C(C[6]C[6]P[6]H)(H)3	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){1|H<1>,1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	C(C[6]C[6]P[6]H)(H)3	119.0330	0.000	1	119.0330	0.000	1	117.0580	7.801	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C(C[6]C[6]S[6]H)(H)3	113.4510	0.000	1	114.1870	1.083	2	114.1870	1.083	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(H)3	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,1|S<2>}	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	C(C[6]C[6]S[6]H)(H)3	114.9230	0.000	1	114.1870	1.083	2	114.1870	1.083	2	111.3464	2.150	1935	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(C[6]C[6]HH)(CHHO)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	112.2017	2.446	3	112.2017	5.981	3	111.2034	4.863	5	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[6]H)(OH)(H)2	109.7060	0.130	2	109.7060	0.017	2	111.2034	4.863	5	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	111.5830	0.000	1	111.5830	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(OC)(H)2	111.5070	0.000	1	111.5070	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OSi)(H)2	112.1630	0.000	1	112.1630	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	111.5510	0.000	1	111.5510	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)2(H)2	C(C[6]C[5,6]C[6]H)(OSi)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OSi)(H)2	111.7270	0.000	1	111.7270	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	111.7590	0.000	1	111.7590	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	109.5740	0.000	1	109.5740	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CHHO)(H){1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	110.3100	0.000	1	110.3100	0.000	1	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(OC)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OC)(H)2	111.0830	0.260	2	111.0830	0.068	2	111.2340	0.600	10	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	111.5035	2.078	2	111.5035	4.319	2	111.1612	1.614	4	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(CHHO)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	110.8190	0.235	2	110.8190	0.055	2	111.1612	1.614	4	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6]2Cl)(OH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(OH)(H)2	114.4510	0.042	2	114.4510	0.002	2	114.4510	0.002	2	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cl)(OH)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(OH)(H)2	111.7435	0.315	2	111.7435	0.099	2	111.7435	0.099	2	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.6123	0.914	3	110.6123	0.835	3	111.0754	2.533	5	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HH)2(CHHO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[5,6]HH)2(CHHO)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|B<4>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(OS)(H)2	111.7700	2.618	2	111.7700	6.852	2	111.0754	2.533	5	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.8945	0.238	2	112.8945	0.057	2	113.1710	0.246	5	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C(C[6]C[6]2H)(OH)(H)2	113.3010	0.000	1	113.3010	0.000	1	113.1710	0.246	5	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CHHO)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2H)(OH)(H)2	113.3825	0.818	2	113.3825	0.669	2	113.1710	0.246	5	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(SC)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(SC)(H)2	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(CN)(H)2	113.6720	0.000	1	113.6720	0.000	1	111.6320	4.112	6	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CN)(H)2	111.2850	0.000	1	111.2850	0.000	1	111.6320	4.112	6	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CC)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC)(H)2	112.8935	2.022	2	112.8935	4.087	2	111.6320	4.112	6	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CN)(H)2	109.5240	0.345	2	109.5240	0.119	2	111.6320	4.112	6	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NC)(H)2	111.2463	0.900	6	111.2463	0.810	6	111.2463	0.810	6	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(OH)(H)2	111.4890	0.000	1	111.4890	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2H)(OH)(H)2	110.9960	0.000	1	110.9960	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(OH)(H)2	109.4340	0.000	1	109.4340	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OC)(H)2	112.0540	0.000	1	112.0540	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(OH)(H)2	109.2130	0.000	1	109.2130	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(OH)(H)2	112.3300	0.000	1	112.3300	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	115.0970	0.000	1	115.0970	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(OH)(H)2	112.6175	0.691	2	112.6175	0.477	2	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	111.5190	0.342	2	111.5190	0.117	2	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	110.5400	0.000	1	110.5400	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.0810	0.000	1	110.0810	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(OC)(H)2	109.6880	0.000	1	109.6880	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(OC)(H)2	114.1440	0.000	1	114.1440	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(OH)(H)2	109.8460	0.000	1	109.8460	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(OC)(H)2	109.6670	0.000	1	109.6670	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.3960	0.808	2	112.3960	0.652	2	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(H)2	111.8487	1.105	4	111.8487	1.222	4	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	111.5380	2.376	2	111.1726	3.236	8	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	111.0508	1.825	6	111.1726	3.236	8	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.5655	0.985	10	111.5655	0.970	10	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OS)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OS)(H)2	110.8105	2.227	6	110.8105	4.962	6	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.3265	1.056	2	111.3265	1.115	2	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	110.4490	0.223	2	110.4490	0.050	2	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.5465	1.541	2	111.9872	1.066	4	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.4280	0.218	2	111.9872	1.066	4	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC)(H)2	110.6050	0.000	1	110.6050	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.3410	0.000	1	110.3410	0.000	1	111.3576	2.161	57	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	108.7520	0.257	2	108.7520	0.066	2	109.1158	0.523	11	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	109.2614	0.805	8	109.2614	0.648	8	109.1158	0.523	11	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	108.6790	0.000	1	108.6790	0.000	1	109.1158	0.523	11	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(SC)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(SC)(H)2	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(OC)(H)2	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(H)2	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	111.2378	2.479	117	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[5,6]CH)2(H)2	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	111.0170	0.129	2	111.0170	0.017	2	111.0170	0.017	2	112.0620	1.504	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:C-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[5,6]CH)2(H)2	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	112.0620	1.504	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(OC)2(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CHOO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2H)(OC)2(H)	113.3600	0.000	1	113.3600	0.000	1	113.3600	0.000	1	112.0620	1.504	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:2:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:C-4:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NC[6])(CH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6])(CH3)(H)	112.8432	1.618	4	112.8432	2.619	4	112.8432	2.619	4	112.8432	2.619	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCO)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[5,6,6]C[6]H)(CCO)(H)2	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	110.3370	0.000	1	110.3370	0.000	1	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2{2|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	110.2870	0.000	2	110.2870	0.000	2	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	111.1955	0.438	2	111.1955	0.192	2	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	111.7498	1.028	4	111.7498	1.057	4	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	111.1190	0.000	1	111.1190	0.000	1	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6a]O)(H)2	110.6750	0.279	2	110.6750	0.078	2	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCO)(H)2	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(CCHH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCO)(H)2	109.9090	0.000	1	109.9090	0.000	1	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CCH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCH)(H)2	112.5840	0.000	1	112.5840	0.000	1	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	111.4090	0.000	1	111.4090	0.000	1	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|N<3>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	110.7260	0.000	1	110.7260	0.000	1	111.0874	0.751	16	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	112.5610	0.000	1	110.0370	12.741	2	110.0370	12.741	2	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	107.5130	0.000	1	110.0370	12.741	2	110.0370	12.741	2	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H)	C(C[6]C[6,6]C[6]H)(NOO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CHHN)(H){2|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]CH)(Br)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(NOO)(H)2	111.8735	0.687	2	111.8735	0.471	2	111.8735	0.471	2	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCC)(H)2	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CCHH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCC)(H)2	111.2463	0.727	4	111.2463	0.529	4	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)2(H)2	C(C[6]C[6,6]C[6]H)(CCC)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCC)(H)2	108.4280	0.000	1	108.4280	0.000	1	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCO)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCO)(H)2	113.4120	0.000	1	113.4120	0.000	1	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	109.9770	0.000	1	109.9770	0.000	1	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	109.4940	0.000	1	109.4940	0.000	1	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	110.1640	0.000	1	110.1640	0.000	1	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	112.3285	0.664	2	112.3285	0.441	2	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]O)(H)2	111.6000	0.000	1	111.6000	0.000	1	111.0598	2.051	12	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	111.7333	2.593	3	111.7333	6.725	3	111.3578	2.863	6	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	110.9823	0.098	3	110.9823	0.010	3	111.3578	2.863	6	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NHS)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(NHS)(H)2	113.1660	0.000	1	113.1660	0.000	1	113.1660	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	110.1983	1.725	4	110.1983	2.975	4	110.1983	2.975	4	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CNS)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(CNS)(H)2	112.7360	0.000	1	112.7360	0.000	1	112.3002	1.244	5	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.1235	0.035	2	111.1235	0.001	2	112.3002	1.244	5	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)2(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[5,6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	113.2590	0.420	2	113.2590	0.176	2	112.3002	1.244	5	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	109.9510	0.000	1	110.0941	3.559	17	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	109.6155	0.170	2	110.0941	3.559	17	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|I<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	108.7400	0.000	1	110.0941	3.559	17	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	108.8868	0.354	5	110.0941	3.559	17	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	109.0090	0.513	3	110.0941	3.559	17	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	111.0070	2.872	2	110.0941	3.559	17	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	113.4010	0.119	3	110.0941	3.559	17	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2H)(COO)(H)2	111.3170	0.000	2	111.3170	0.000	2	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCC)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCC)(H)2	114.3050	0.000	1	114.3050	0.000	1	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2H)(COO)(H)2	110.1715	0.347	2	110.1715	0.121	2	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(COO)(H)2	110.0810	0.000	1	109.3065	1.200	2	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2H)(COO)(H)2	108.5320	0.000	1	109.3065	1.200	2	110.3123	3.439	24	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:F-1:F-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCF)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCF)(F)2	112.8820	0.000	1	112.8820	0.000	1	112.7195	0.053	2	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:F-1:F-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CClC)(F)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCFF)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CClC)(F)2	112.5570	0.000	1	112.5570	0.000	1	112.7195	0.053	2	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:F-1:H-1:	C[6](C[6]C[6]HH)2(CCFH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(F)(H)	C[6](C[6]C[6]HH)2(CCFH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(F)(H)	112.5763	2.213	4	112.5763	4.899	4	112.5763	4.899	4	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CN[5]O)(H)2	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C(C[6]C[6]2H)(CN[5]O)(H)2	110.0310	0.000	1	110.0310	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CNS)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]2H)(CNS)(H)2	112.2570	0.000	1	112.2570	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	110.0750	0.000	1	110.0750	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.6830	0.000	1	111.6830	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	109.5960	0.000	1	109.5960	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.3920	0.000	1	111.6835	0.170	2	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.9750	0.000	1	111.6835	0.170	2	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCHH)(H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.3890	0.000	1	112.3890	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	106.6570	0.000	1	106.6570	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	110.5780	0.000	1	111.9270	3.640	2	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	C(C[6]C[6]2H)(CCH)(H)2	113.2760	0.000	1	111.9270	3.640	2	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CN[5]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]2H)(CN[5]O)(H)2	111.9630	0.000	1	111.9630	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	108.8580	0.000	1	108.8580	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CCN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCN)(H)2	110.8263	0.545	3	110.8263	0.297	3	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	111.7880	0.000	1	111.7880	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C(C[6]C[6]2H)(COO)(H)2	111.5650	0.000	1	111.5650	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	110.5480	0.000	1	110.5480	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C(C[6]C[6]2H)(CCO)(H)2	112.0360	0.000	1	112.0360	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	110.9755	2.446	2	110.9755	5.982	2	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	110.1525	0.499	4	110.1525	0.249	4	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(COO)(H)2	110.7590	0.000	1	110.7590	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	113.6850	0.000	1	113.6850	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(CCO)(H)2	111.9820	0.000	1	111.9820	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>}	C(C[6]C[6]2H)(CHH)(H)2	108.4040	0.000	1	108.4040	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CN[6]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CN[6]O)(H)2	111.6947	1.483	4	111.6947	2.200	4	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5a]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5a]O)(H)2	111.4860	0.846	2	111.4860	0.715	2	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	112.1620	0.151	2	112.0522	0.446	6	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	111.9973	0.850	4	112.0522	0.446	6	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CNO)(H)2	112.0045	0.011	2	112.0045	0.000	2	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	110.9520	0.677	2	111.2240	2.686	5	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2H)(COO)(H)2	112.7430	0.000	1	111.2240	2.686	5	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	110.7365	2.712	2	111.2240	2.686	5	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	114.4170	0.000	1	114.4170	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	110.6750	0.000	1	110.6750	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.6650	0.000	1	112.6650	0.000	1	111.2786	2.121	52	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:O-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)(O)	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	108.8293	0.422	4	108.8293	0.178	4	108.8293	0.178	4	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NHS)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CHHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(NHS)(H)2	109.3620	0.000	1	109.3620	0.000	1	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NCS)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(NCS)(H)2	109.6790	1.756	2	109.6790	3.085	2	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	109.2700	0.000	1	109.2700	0.000	1	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NCH)(H)2	111.4864	1.592	5	111.4864	2.535	5	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	111.9170	0.000	1	111.9170	0.000	1	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	110.2244	1.335	5	110.6938	1.218	9	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	111.2805	0.214	4	110.6938	1.218	9	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	111.2749	1.457	10	111.2755	1.910	11	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	111.2810	0.000	1	111.2755	1.910	11	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NCH)(H)2	111.6083	2.073	6	111.6083	4.299	6	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NHS)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NHS)(H)2	112.1990	2.722	6	112.1990	7.407	6	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	111.0415	1.988	4	111.0415	3.952	4	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	112.4650	0.000	1	112.4650	0.000	1	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(NCH)(H)2	111.1985	1.474	4	111.1985	2.172	4	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	110.9635	1.298	2	110.9635	1.684	2	111.2039	2.778	53	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	110.3000	0.000	1	110.3000	0.000	1	111.0441	2.620	19	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	111.3560	1.498	6	111.0854	2.739	18	111.0441	2.620	19	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)2(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	110.9501	1.776	12	111.0854	2.739	18	111.0441	2.620	19	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CHH)(H)2	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(COO)(H)2	112.8025	0.568	2	112.8025	0.322	2	112.8025	0.322	2	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NAlC)(H)2	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(NAlC)(H)2	113.7710	0.000	1	113.7710	0.000	1	114.3344	0.541	5	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NAlC)(H)2	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(NAlC)(H)2	114.2533	0.766	3	114.2533	0.587	3	114.3344	0.541	5	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NFeC)(H)2	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(NFeC)(H)2	115.1410	0.000	1	115.1410	0.000	1	114.3344	0.541	5	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:H-1:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(SNi2)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(SNi2)(H)2	114.5236	4.825	5	114.5236	23.279	5	112.2145	10.448	15	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:H-1:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(SNiC)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H){1|H<1>,2|C<4>}	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(SNiC)(H)2	109.7260	0.000	1	111.0600	1.463	10	112.2145	10.448	15	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-3:H-1:H-1:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(SNiC)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(CHHS)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(SNiC)(H)2	111.2082	1.183	9	111.0600	1.463	10	112.2145	10.448	15	111.2243	3.402	236	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[5,6]C[6]H)(CCH)(OC)(H)	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	111.7075	1.948	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-2:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)(CN)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(COO)(CN)(H)	111.8760	0.636	2	111.8760	0.405	2	111.8760	0.405	2	111.7075	1.948	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:N-2:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(NS)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(NS)(H)	111.9365	1.099	4	111.9365	1.208	4	111.9365	1.208	4	111.7075	1.948	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(OC)(H)	113.0830	0.000	1	113.0830	0.000	1	111.7912	2.357	10	111.7075	1.948	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]C)(OH)(H)	111.9554	1.339	8	111.9554	1.792	8	111.7912	2.357	10	111.7075	1.948	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(OC)(H)	109.1860	0.000	1	109.1860	0.000	1	111.7912	2.357	10	111.7075	1.948	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:C-2:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCC)(CC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(CC)(H)	110.0810	1.686	2	110.0810	2.842	2	110.0810	2.842	2	111.7075	1.948	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:C-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]FH)2(CCHN)(C)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(CNO)(NCC)(H)	C[6](C[6]C[6]FH)2(CCHN)(C){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(CNO)(NCC)(H)	108.9395	2.133	2	108.9395	4.551	2	108.9395	4.551	2	111.3301	3.199	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(COO)2(H)	112.4040	0.000	1	112.4040	0.000	1	112.4040	0.000	1	111.3301	3.199	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCH)(NSS)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(NSS)(H)	111.5463	2.376	4	111.5463	5.644	4	111.2795	2.650	8	111.3301	3.199	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CNO)(NCC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CNO)(NCC)(H)	110.5995	0.562	2	110.5995	0.316	2	111.2795	2.650	8	111.3301	3.199	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[6]2H)(COO)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(NCH)(H)	111.4260	0.231	2	111.4260	0.053	2	111.2795	2.650	8	111.3301	3.199	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:B-3:H-1:	C[6](C[6]C[6]HH)2(CBHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	C[6](C[6]C[6]HH)2(CBHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]Pt)(BC[6]O)(H)	112.6330	0.461	2	112.6330	0.213	2	112.6330	0.213	2	111.3301	3.199	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	111.3301	3.199	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C[6](C[6]C[6]HH)2(CB[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	114.2130	0.000	2	114.2130	0.000	2	114.2130	0.000	2	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	111.7070	0.774	2	111.7070	0.598	2	111.9395	0.343	4	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	112.1720	0.462	2	112.1720	0.214	2	111.9395	0.343	4	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCoC)(CH3)(H)	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NCoC)(CH3)(H)	113.2940	0.000	1	113.2940	0.000	1	112.0559	5.629	15	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	111.1415	0.721	2	111.1415	0.519	2	112.0559	5.629	15	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	111.7470	2.205	2	111.7470	4.861	2	112.0559	5.629	15	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCoC)(CH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCoC)(CH3)(H)	112.1767	2.787	10	112.1767	7.765	10	112.0559	5.629	15	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CN[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	111.8215	0.510	2	111.8215	0.260	2	111.8215	0.260	2	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	114.2140	0.000	1	114.2140	0.000	1	114.1910	1.260	3	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:3:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	114.1795	1.587	2	114.1795	2.520	2	114.1910	1.260	3	112.4322	4.083	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2	C(C[6]C[3,6]C[6]H)(CH3)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	C(C[6]C[3,6]C[6]H)(CH3)(H)2	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	112.9560	2.271	2	112.9560	5.158	2	112.6638	1.863	10	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	110.9180	0.000	2	110.9180	0.000	2	112.6638	1.863	10	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	112.9790	0.000	1	112.9790	0.000	1	112.6638	1.863	10	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	112.8420	0.000	1	112.8420	0.000	1	112.6638	1.863	10	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	112.5990	0.000	1	112.5990	0.000	1	112.6638	1.863	10	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	112.8370	0.774	2	112.8370	0.598	2	112.6638	1.863	10	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	114.7960	0.000	1	114.7960	0.000	1	112.6638	1.863	10	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	111.1135	0.991	2	111.1135	0.981	2	112.5105	1.436	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	113.3160	0.000	1	113.3160	0.000	1	112.5105	1.436	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.7290	0.000	1	112.7290	0.000	1	112.5105	1.436	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	112.2360	0.000	1	112.2360	0.000	1	112.5105	1.436	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	114.5620	0.000	1	114.5620	0.000	1	112.5105	1.436	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	112.8100	0.000	1	112.8100	0.000	1	112.5105	1.436	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	112.2040	0.000	1	112.2040	0.000	1	112.5105	1.436	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	108.3327	5.145	3	108.9932	14.485	5	108.9932	14.485	5	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<7>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	109.0530	0.000	1	108.9932	14.485	5	108.9932	14.485	5	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]C[6]HH)(CHHP)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(PIrCC)(H)2	110.9150	0.000	1	108.9932	14.485	5	108.9932	14.485	5	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C(C[6]C[6]2F)(CCHN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2F)(CCHN)(H)2	112.5370	3.254	2	112.5370	10.589	2	112.2335	8.229	4	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	C(C[6]C[6]2F)(CF3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2F)(CF3)(H)2	111.9300	3.705	2	111.9300	13.729	2	112.2335	8.229	4	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{2|C<3>,2|O<2>,4|C<4>}	C(C[6]C[6]2H)(CCHO)(H)2	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]2H)(CCHO)(H)2	110.5440	0.000	1	110.3150	0.105	2	110.6607	0.411	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6]2H)(CCHO)(H)2	110.0860	0.000	1	110.3150	0.105	2	110.6607	0.411	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	111.3520	0.000	1	111.3520	0.000	1	110.6607	0.411	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	111.4250	0.631	3	111.4250	0.398	3	111.4250	0.398	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	113.1650	0.000	1	113.1650	0.000	1	113.5121	2.192	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.2870	0.000	1	111.2870	0.000	1	113.5121	2.192	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	111.3510	0.000	1	111.3510	0.000	1	113.5121	2.192	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CB[6]HH)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<4>,6|H<1>}	C(C[6]C[6]2H)(CB[6]HH)(H)2	114.2465	0.269	4	114.2465	0.072	4	113.5121	2.192	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	115.3080	0.000	1	115.3080	0.000	1	113.5121	2.192	8	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CC[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	C[6](C[6]C[6,6]HH)2(CC[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	114.1425	3.227	2	114.1425	10.410	2	114.1425	10.410	2	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.6570	0.000	1	113.6570	0.000	1	114.2490	0.701	2	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	114.8410	0.000	1	114.8410	0.000	1	114.2490	0.701	2	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	106.5620	0.000	1	106.5620	0.000	1	110.8619	4.840	7	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	112.3505	0.474	2	112.3505	0.225	2	110.8619	4.840	7	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[3]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	111.1925	1.349	4	111.1925	1.820	4	110.8619	4.840	7	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:Br-1:H-1:	C[6](C[6]C[6]HH)2(CC[5]BrH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	C[6](C[6]C[6]HH)2(CC[5]BrH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	112.9475	2.310	2	112.9475	5.337	2	112.9475	5.337	2	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[5]HH)(H){1|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	112.6280	0.000	1	112.6280	0.000	1	112.2764	3.826	16	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	111.5855	1.464	2	111.5855	2.145	2	112.2764	3.826	16	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	111.7270	2.700	2	111.7270	7.289	2	112.2764	3.826	16	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	111.3845	2.652	2	111.3845	7.035	2	112.2764	3.826	16	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	112.7308	2.371	4	112.7112	4.493	9	112.2764	3.826	16	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	112.6956	2.184	5	112.7112	4.493	9	112.2764	3.826	16	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6](C[6]C[6]HH)2(CBrCH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CBrHH)(Br)(H)	C[6](C[6]C[6]HH)2(CBrCH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CBrHH)(Br)(H)	110.7460	0.000	1	110.7460	0.000	1	112.1080	3.710	2	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6](C[6]C[6]HH)2(CBrCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CBrHH)(Br)(H)	C[6](C[6]C[6]HH)2(CBrCH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CBrHH)(Br)(H)	113.4700	0.000	1	113.4700	0.000	1	112.1080	3.710	2	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:F-1:H-1:	C[6](C[6]C[6]HH)2(CCFH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCFH)(F)(H)	C[6](C[6]C[6]HH)2(CCFH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCFH)(F)(H)	112.0160	1.634	4	112.0160	2.668	4	112.0160	2.668	4	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.4820	0.000	1	112.4820	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.1990	0.000	1	113.1990	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.0270	0.000	1	111.0270	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.6290	0.000	1	112.6290	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.4340	0.000	1	112.7515	0.202	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0690	0.000	1	112.7515	0.202	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.5620	0.232	2	111.5620	0.054	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	110.9180	0.000	1	110.9180	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[5]HH)(H)2	110.9715	1.924	2	110.9715	3.702	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	111.8940	0.000	1	111.8940	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCoCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CCoCH)(H)2	110.2190	0.000	1	110.2190	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCCH)(H)2	112.7170	0.000	1	112.7170	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.2585	0.426	2	111.4593	2.007	3	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	109.8610	0.000	1	111.4593	2.007	3	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	C(C[6]C[6]2H)(CC[3]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(CC[3]HH)(H)2	113.3760	0.000	1	113.3760	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	112.8102	0.458	4	112.8102	0.209	4	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.7230	0.000	1	110.2797	2.116	3	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	109.5580	1.052	2	110.2797	2.116	3	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	106.5250	0.000	1	106.5250	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.2170	0.000	1	112.2170	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	107.9690	0.000	1	107.9690	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.6480	0.000	1	111.6480	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.5150	0.451	2	113.5150	0.204	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCW)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<10>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCCW)(H)2	112.1850	0.000	1	112.1850	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.5820	0.000	1	113.5820	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2H)(CC[5a]HH)(H)2	120.5690	0.000	1	120.5690	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.0320	0.000	1	112.0320	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.1449	0.334	11	112.1449	0.111	11	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.3340	1.161	2	113.3340	1.348	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.0090	0.736	4	112.0090	0.542	4	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCN)(H)2	111.4202	2.476	8	111.4202	6.131	8	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.3945	0.334	2	112.1122	3.128	68	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.3515	1.867	2	112.1122	3.128	68	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.9625	1.077	4	112.1122	3.128	68	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.4209	2.050	22	112.1122	3.128	68	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.7920	1.750	34	112.1122	3.128	68	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.5250	1.100	4	112.1122	3.128	68	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHN)(H)2	111.6950	1.152	14	111.6950	1.328	14	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]HN)(H)2	110.8140	2.695	2	110.8140	7.266	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]HO)(H)2	111.7865	2.268	2	111.7865	5.142	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]CC)(H)2	111.3600	3.935	4	111.3600	15.485	4	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	111.4805	3.279	2	111.5719	3.208	8	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	111.8452	1.614	4	111.5719	3.208	8	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	111.1165	1.777	2	111.5719	3.208	8	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]HN)(H)2	111.4775	2.624	2	111.4775	6.886	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	114.6440	0.000	1	112.3914	2.103	5	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	111.8282	0.830	4	112.3914	2.103	5	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHN)(H)2	112.1565	1.662	2	112.1565	2.764	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	111.2147	1.274	4	111.2147	1.623	4	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHSS)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2H)(CHSS)(H)2	110.0935	1.108	2	110.0935	1.228	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.1470	0.000	1	113.1470	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	114.6580	0.000	1	114.6580	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.4980	1.415	4	112.0988	1.893	60	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.2973	1.034	8	112.0988	1.893	60	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.9014	1.408	40	112.0988	1.893	60	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.6876	1.491	8	112.0988	1.893	60	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6]CH)(H)2	111.3195	0.368	2	111.3195	0.136	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|S<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<5>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.3565	1.759	2	110.8604	1.343	8	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|S<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<6>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	110.6950	1.063	6	110.8604	1.343	8	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	110.9630	0.000	1	110.9630	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	111.9150	0.000	1	111.9150	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	109.7800	0.000	1	109.7800	0.000	1	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.0615	0.053	2	112.0615	0.003	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.3650	0.000	1	109.8725	12.425	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	107.3800	0.000	1	109.8725	12.425	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.4310	0.383	2	112.4310	0.147	2	111.9228	2.920	254	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	C(C[6]C[6]2H)2(H)2	111.5210	0.000	1	111.5210	0.000	1	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)2(H)2	111.7830	0.000	1	111.7830	0.000	1	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)2(H)2	113.9750	0.000	1	113.9750	0.000	1	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	111.2392	2.094	4	111.2392	4.384	4	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	110.7710	3.106	2	110.7710	9.645	2	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)2(H)2	112.6085	3.778	4	112.0999	7.416	8	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)2(H)2	111.5913	1.529	4	112.0999	7.416	8	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	112.1060	2.118	6	112.1060	4.486	6	111.8788	4.839	23	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(NCCH)(H)2	116.0245	2.036	2	116.0245	4.144	2	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	114.5946	12.325	6	114.5946	151.900	6	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	111.4400	2.076	6	111.5903	4.465	17	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	111.2900	3.813	2	111.5903	4.465	17	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	111.3437	2.456	6	111.5903	4.465	17	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	112.5843	0.880	3	111.5903	4.465	17	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	106.4167	7.477	12	106.4167	55.909	12	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	111.4850	1.183	3	111.4850	1.400	3	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NCCH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(NCCH)(H)2	112.4274	0.983	5	112.4274	0.967	5	110.8943	42.117	45	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PC[6a]2Ru)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(PC[6a]2Ru)(H)2	105.6310	1.085	2	105.6310	1.177	2	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PPdCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(PPdCC)(H)2	105.9380	0.199	2	105.9380	0.040	2	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PFeCC)(H)2	C[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(PFeCC)(H)2	111.9349	1.985	45	111.9349	3.939	45	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PIrCC)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(PIrCC)(H)2	114.4675	0.726	2	113.7328	1.317	14	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PIrCC)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<4>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(PIrCC)(H)2	114.2930	1.224	6	113.7328	1.317	14	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PIrCC)(H)2	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(PIrCC)(H)2	112.9277	0.672	6	113.7328	1.317	14	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PPdCC)(H)2	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(PPdCC)(H)2	112.1302	0.876	6	112.1302	0.768	6	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(PPtCC)(H)2	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CHHP)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(PPtCC)(H)2	112.2680	0.472	2	112.2680	0.223	2	111.9688	5.611	71	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NH3)(H)2	114.4780	12.643	6	114.4780	159.853	6	114.4780	159.853	6	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	In[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H)	C[6](In[6]O[6]Br2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]In[6]HH)(C[6]C[6]CC)(CCHH)(H){2|Br<1>,2|O<2>}	C[6](In[6]O[6]Br2)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)2(CCHH)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	113.2905	0.541	2	115.0225	3.218	6	114.9301	2.741	7	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	115.8885	1.505	4	115.0225	3.218	6	114.9301	2.741	7	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	114.3760	0.000	1	114.3760	0.000	1	114.9301	2.741	7	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NH3)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NH3)(H)2	114.2955	0.674	2	114.2955	0.454	2	114.2955	0.454	2	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	109.8387	1.053	3	109.8387	1.109	3	109.8387	1.109	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NAlCH)(H)2	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(NAlCH)(H)2	113.9180	0.000	1	113.9180	0.000	1	114.3963	2.979	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NFeCH)(H)2	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(NFeCH)(H)2	112.9600	0.000	1	112.9600	0.000	1	114.3963	2.979	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(NNiCH)(H)2	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(NNiCH)(H)2	116.3110	0.000	1	116.3110	0.000	1	114.3963	2.979	3	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(PC[6a]2Ru)(H)2	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(PC[6a]2Ru)(H)2	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(NCoCH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(NCoCH)(H)2	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(CCHH)(H)	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2	C(C[6]C[6]N[6]H)(CCCH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	112.3510	0.000	1	112.3510	0.000	1	112.3510	0.000	1	111.9230	9.046	501	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(OH)(H)	113.2670	0.000	1	113.2670	0.000	1	113.2670	0.000	1	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CCHN)(OC)(H)	114.5025	1.911	2	114.5025	3.653	2	114.5025	3.653	2	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHN)(OC)(H)	113.9640	0.000	1	113.9640	0.000	1	113.9640	0.000	1	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HH)2(CC[3]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	111.4560	1.751	2	111.4560	3.065	2	111.7855	1.890	6	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CC[3]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[3]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	111.9502	1.421	4	111.9502	2.019	4	111.7855	1.890	6	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:N-2:H-1:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	C[6](C[6]C[6]HH)2(CC[5]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	111.4770	2.032	2	111.4770	4.130	2	111.4770	4.130	2	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-2:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	112.4710	2.099	4	112.4710	4.406	4	112.5263	2.155	8	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-2:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(NC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NC)(H)	112.5815	0.784	4	112.5815	0.614	4	112.5263	2.155	8	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(OH)(H)	114.6300	0.000	1	114.6300	0.000	1	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	C(C[6]C[6]2H)(CH3)(OH)(H)	108.5360	0.000	1	108.5360	0.000	1	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	113.3550	0.000	1	113.0985	0.132	2	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	112.8420	0.000	1	113.0985	0.132	2	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(OH)(H)	112.7460	0.000	1	112.7460	0.000	1	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CC3)(OSi)(H)	110.5680	0.000	1	110.5680	0.000	1	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CC3)(OSi)(H)	110.0350	0.000	1	110.0350	0.000	1	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCCH)(OSi)(H)	116.0420	0.000	1	116.0420	0.000	1	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCH)(OC)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(OC)(H)	111.8530	0.751	4	111.8530	0.564	4	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(OH)(H)	111.8161	1.370	16	111.8161	1.877	16	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(OSi)(H)	111.4860	1.998	2	111.4860	3.993	2	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(OSi)(H)	112.6245	1.043	2	112.6245	1.088	2	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	112.7930	0.846	2	112.7930	0.715	2	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	111.4595	1.808	4	111.4595	3.270	4	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	111.6183	2.527	4	111.6183	6.383	4	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	112.6972	2.169	4	112.6972	4.704	4	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	112.1874	1.581	64	112.1874	2.498	64	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHN)(OH)(H)	C[6](C[6]C[6]HH)2(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHN)(OH)(H)	111.5225	0.684	2	111.5225	0.468	2	112.0997	2.607	112	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	112.0280	0.000	1	112.0280	0.000	1	112.0551	3.714	8	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)2(OH)(H)	113.5590	0.000	1	113.5590	0.000	1	112.0551	3.714	8	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	111.4850	2.776	2	111.4850	7.707	2	112.0551	3.714	8	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)2(OH)(H)	112.5600	2.212	2	112.5600	4.892	2	112.0551	3.714	8	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(OH)(H)	111.3820	3.012	2	111.3820	9.074	2	112.0551	3.714	8	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:C-2:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	110.5960	2.810	2	110.5960	7.896	2	110.5960	7.896	2	112.1557	2.846	144	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-2:N-2:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	112.5705	0.357	2	112.5705	0.128	2	112.5705	0.128	2	112.4072	0.711	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6](C[6]C[6]HH)2(CC[6]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(CN)(OH)	C[6](C[6]C[6]HH)2(CC[6]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)2(CN)(OH)	112.3255	1.056	4	112.3255	1.116	4	112.3255	1.116	4	112.4072	0.711	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	111.4143	0.767	3	111.4143	0.588	3	111.4143	0.588	3	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	111.3870	0.000	1	111.3870	0.000	1	114.0823	5.483	3	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	115.4300	0.263	2	115.4300	0.069	2	114.0823	5.483	3	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)(COO)(H)	110.9660	1.556	2	110.9660	2.420	2	110.9660	2.420	2	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5,5]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	C[6](C[6]C[6]HH)2(CB[5,5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(B[5,5]N[5,5]O[5]2)(C[6]C[6]2H)(CHN)(H)	112.5310	2.588	2	112.5310	6.698	2	112.5310	6.698	2	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(CC[3]CH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]2Fe)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]HH)2(CC[5]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2H)(NHS)(H)	113.8995	0.240	2	113.8995	0.057	2	113.2982	2.329	4	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CC[5]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	C[6](C[6]C[6]HH)2(CC[5]HN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	112.6970	2.342	2	112.6970	5.485	2	113.2982	2.329	4	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(COO)(H)	112.7525	0.661	2	112.8500	0.317	4	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)(COO)(H)	112.9475	0.691	2	112.8500	0.317	4	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	114.6390	0.000	1	114.6390	0.000	1	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CNO)(H)	113.5404	1.539	5	113.5404	2.370	5	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(COO)(H)	112.0395	0.733	2	112.0395	0.538	2	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(CHH)(H)	113.0460	0.000	1	113.0460	0.000	1	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHO)(CCH)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHO)(CCH)(H)	112.1015	1.095	2	112.1015	1.200	2	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHN)(CCO)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHN)(CCO)(H)	111.2970	0.115	2	111.2970	0.013	2	112.8037	1.564	17	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(NCH)(H)	111.0163	2.361	3	111.0163	5.574	3	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(NCH)(H)	109.1850	0.000	1	109.1850	0.000	1	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	111.1315	1.038	4	111.1315	1.077	4	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCCH)(NHS)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(NHS)(H)	112.0895	1.619	2	112.0895	2.620	2	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCFF)(NHS)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCFF)(NHS)(H)	112.0092	2.193	4	112.0092	4.809	4	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(NCH)(H)	110.8100	0.000	1	110.8100	0.000	1	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	111.9555	0.125	2	111.9555	0.016	2	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CClCH)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CClCH)(NCH)(H)	111.4730	2.213	4	111.4730	4.897	4	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(NCC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NCC)(H)	111.1840	0.662	2	111.1840	0.438	2	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NCH)(H)	111.5410	1.157	2	112.2742	1.314	6	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NCH)(H)	112.6407	1.098	4	112.2742	1.314	6	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(NCC)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHO)(NCC)(H)	111.2248	0.746	4	111.2248	0.556	4	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(NCH)(H)	114.2440	0.000	1	114.2440	0.000	1	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CH3)(NCH)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NCH)(H)	111.8355	0.281	2	111.8355	0.079	2	111.6227	2.155	36	112.1443	2.507	68	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(COO)(OH)	112.9270	0.000	1	112.9270	0.000	1	113.5328	9.128	5	113.2766	6.913	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]CO)(COO)(OH)	113.6842	3.467	4	113.6842	12.018	4	113.5328	9.128	5	113.2766	6.913	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6](C[6]C[6]HH)2(CC[6]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(COO)(OH)	C[6](C[6]C[6]HH)2(CC[6]CO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)2(COO)(OH)	112.9562	2.453	4	112.9562	6.017	4	112.9562	6.017	4	113.2766	6.913	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:3:	C-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B[6]-3:C-3:	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	C[6](CB[6]C[6]C)(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)2(B[6]O[6]2)(CCH)	113.2742	2.075	4	113.2742	4.306	4	113.2742	4.306	4	113.2148	3.247	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:3:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(COO)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(COO)2	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	113.2148	3.247	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	114.9100	0.274	4	114.9100	0.075	4	114.9100	0.075	4	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	114.0600	0.641	2	113.3690	1.455	7	113.3690	1.455	7	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	113.0926	1.321	5	113.3690	1.455	7	113.3690	1.455	7	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	C(C[6]C[3x6]C[6]H)(CH3)2(H)	C[6](C[3x6]C[5,4x6]N[3x6]H)(C[6]C[6]HH)(CCCH)(H){2|H<1>,5|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[3x6]C[6]H)(CH3)2(H)	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	114.2170	0.000	1	114.2170	0.000	1	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.2140	0.151	2	112.8448	0.288	8	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.0810	0.619	3	112.8448	0.288	8	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.7880	0.000	1	112.8448	0.288	8	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.9610	0.000	1	112.8448	0.288	8	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.3380	0.000	1	112.8448	0.288	8	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.9715	0.996	2	113.9715	0.993	2	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<2>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.6460	0.792	4	112.4964	0.874	11	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.6000	0.092	2	112.4964	0.874	11	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.3330	0.000	1	112.4964	0.874	11	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|P<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	111.3120	1.133	2	112.4964	0.874	11	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.0700	0.000	1	112.4964	0.874	11	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCCH)(H){2|C<4>,2|N<3>,7|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.6490	0.000	1	112.4964	0.874	11	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	114.0100	0.960	3	114.0100	0.921	3	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.6895	0.404	2	113.6895	0.163	2	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	113.4825	1.124	2	113.4825	1.262	2	113.0604	0.919	29	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(CCCH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(CCCH)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	114.2840	0.951	3	114.2840	0.903	3	114.2840	0.903	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.8190	0.000	1	112.8190	0.000	1	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.9400	0.000	1	114.4467	0.183	3	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CCCH)(H){1|S<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.2000	0.011	2	114.4467	0.183	3	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	116.4240	0.000	1	116.4240	0.000	1	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	113.6970	2.169	3	113.6970	4.705	3	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	112.0710	0.000	1	110.6528	2.664	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	111.3910	0.246	2	110.6528	2.664	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	110.4910	0.000	1	110.6528	2.664	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	107.9200	0.000	1	110.6528	2.664	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.3670	0.000	1	112.5792	1.002	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.4680	0.000	1	112.5792	1.002	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.1415	0.688	2	112.5792	1.002	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	111.7780	0.000	1	112.5792	1.002	5	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	112.1870	0.000	1	111.8480	0.230	2	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	111.5090	0.000	1	111.8480	0.230	2	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.4060	0.000	1	112.4060	0.000	1	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){3|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	115.3850	0.000	1	115.3850	0.000	1	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.2060	0.000	1	112.2060	0.000	1	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	113.2315	2.881	2	113.2315	8.303	2	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CCCH)(H){4|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.7790	0.000	1	112.7790	0.000	1	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.2550	0.000	1	114.2550	0.000	1	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	116.9540	2.244	3	116.2993	5.073	4	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(CCCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	114.3350	0.000	1	116.2993	5.073	4	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,1|S<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(H)	112.6385	0.827	4	112.6385	0.685	4	113.2221	4.458	35	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(Cl)	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Br)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.1537	0.531	3	114.1537	0.282	3	114.1537	0.282	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.2410	0.354	2	113.2410	0.125	2	113.2410	0.125	2	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	113.4435	0.204	2	113.4435	0.042	2	112.9363	0.793	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	111.9220	0.000	1	111.9220	0.000	1	112.9363	0.793	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.8358	0.497	5	114.8358	0.247	5	114.8358	0.247	5	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.8905	1.761	2	112.8905	3.103	2	113.3790	2.267	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|O<2>,5|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.3560	0.000	1	114.3560	0.000	1	113.3790	2.267	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(CC[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	113.3846	3.852	8	113.3846	14.834	8	113.3846	14.834	8	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	C[6](C[6]C[6]HH)2(CC[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	112.7530	1.045	2	112.7530	1.092	2	112.9265	2.516	10	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(CC[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	112.5815	2.457	2	112.5815	6.038	2	112.9265	2.516	10	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(CC[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	112.9035	1.923	4	112.9035	3.697	4	112.9265	2.516	10	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[5]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	C[6](C[6]C[6]HH)2(CC[5]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	113.4910	1.868	2	113.4910	3.490	2	112.9265	2.516	10	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CClCC)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(Cl)	114.1140	0.000	1	114.1140	0.000	1	112.5410	6.602	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	109.5760	0.000	1	109.5760	0.000	1	112.5410	6.602	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[6]HH)2(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(Cl)	C[6](C[6]C[6]HH)2(CClCC)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(Cl)	113.9330	0.000	1	113.9330	0.000	1	112.5410	6.602	3	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:F-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(F)	113.3410	0.000	1	113.3410	0.000	1	113.6980	0.255	2	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:F-1:	C[6](C[6]C[6]HH)2(CCCF)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6]HH)2(CCCF)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(F)	114.0550	0.000	1	114.0550	0.000	1	113.6980	0.255	2	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.8877	0.138	3	113.8877	0.019	3	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.0330	0.305	2	114.0330	0.093	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|I<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.6966	0.380	5	113.6966	0.145	5	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Hf<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.0975	0.043	2	113.6441	0.614	8	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Rh<8>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	115.1820	0.000	1	113.6441	0.614	8	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Ti<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.6920	0.885	2	113.6441	0.614	8	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	112.9440	0.000	1	113.6441	0.614	8	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<14>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.7240	0.206	2	113.6441	0.614	8	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	110.2830	0.000	1	110.2830	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	114.9780	0.000	1	114.9780	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	109.5410	0.000	1	109.5410	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	114.4610	0.000	1	114.4610	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	110.5570	0.000	1	110.5570	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.5465	0.062	2	113.7515	0.156	4	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.9565	0.544	2	113.7515	0.156	4	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.5175	1.098	2	114.5175	1.206	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.7095	0.342	2	114.5973	0.096	3	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.3730	0.000	1	114.5973	0.096	3	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	110.6375	0.199	2	110.6375	0.039	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.1530	0.000	1	112.5710	0.765	3	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	111.5650	0.000	1	112.5710	0.765	3	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	112.9950	0.000	1	112.5710	0.765	3	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]AuH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]AuH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Au<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.6250	0.000	1	112.6250	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHO)(CH3)(H)	114.8600	0.000	1	114.8600	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.3890	0.000	1	114.0474	0.317	12	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	113.8960	0.000	1	114.0474	0.317	12	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.5510	0.000	1	114.0474	0.317	12	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.1926	0.569	9	114.0474	0.317	12	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	C(C[6]C[6]2H)(CCHH)2(H)	114.9090	0.000	1	114.9090	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.5160	0.000	1	115.5160	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	112.5207	1.980	8	112.5207	3.922	8	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	113.9470	0.537	2	113.9470	0.289	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Fe<6>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	112.0602	2.875	4	112.0602	8.265	4	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.4580	0.000	1	113.8872	1.091	168	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.8837	1.047	167	113.8872	1.091	168	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	111.5355	0.073	2	111.5355	0.005	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CH3)2(H)	112.8390	0.827	2	112.8390	0.684	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.1320	0.000	1	112.5532	1.929	29	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.5325	1.410	28	112.5532	1.929	29	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.3610	0.000	1	114.3610	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CH3)2(H)	114.9388	0.296	5	114.9388	0.088	5	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.3917	0.188	3	114.3917	0.035	3	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	113.1655	1.289	2	113.1655	1.662	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.4640	0.000	1	113.3342	1.196	19	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.1525	2.262	2	113.3342	1.196	19	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.3255	0.991	8	113.3342	1.196	19	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.9263	0.969	6	113.3342	1.196	19	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.2095	1.097	2	113.3342	1.196	19	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	113.3100	2.192	2	113.3100	4.805	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.6160	0.000	1	113.6160	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	112.8230	1.195	2	112.8230	1.428	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.4980	1.218	2	112.4980	1.483	2	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)2(CCCH)(H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.2740	0.000	1	112.2740	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.2313	1.452	24	114.2313	2.107	24	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.3570	0.000	1	112.3570	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.5220	0.566	3	112.8440	0.469	6	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.9960	0.000	1	112.8440	0.469	6	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.7510	0.221	2	112.8440	0.469	6	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	111.5060	0.000	1	111.5060	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.1360	0.000	1	113.7163	0.383	4	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<5>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.9097	0.592	3	113.7163	0.383	4	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.0570	0.000	1	113.0570	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.5430	0.000	1	113.5430	0.000	1	113.6094	1.670	344	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	110.9935	0.431	2	110.9935	0.185	2	112.0341	2.126	10	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	C[6](C[6]C[6]HH)2(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)2(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NH3)(H)	112.2943	1.523	8	112.2943	2.320	8	112.0341	2.126	10	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[6]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	114.1958	3.685	4	114.1958	13.577	4	114.1958	13.577	4	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	113.5057	2.286	483	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	110.2455	0.134	2	109.9631	0.167	7	109.9631	0.167	7	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	110.2050	0.061	2	109.9631	0.167	7	109.9631	0.167	7	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	109.6137	0.412	3	109.9631	0.167	7	109.9631	0.167	7	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]HH)(CCCO)(H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	108.5930	0.000	1	112.5978	2.614	10	112.5978	2.614	10	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	113.4108	1.015	5	112.5978	2.614	10	112.5978	2.614	10	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]CO)(H){2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	112.5828	0.150	4	112.5978	2.614	10	112.5978	2.614	10	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	112.8090	0.000	1	112.8090	0.000	1	112.8685	0.007	2	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	112.9280	0.000	1	112.9280	0.000	1	112.8685	0.007	2	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	109.0380	0.000	1	109.0380	0.000	1	114.1080	8.479	5	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6]2H)(CH3)2(OH)	115.3755	0.771	4	115.3755	0.594	4	114.1080	8.479	5	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)2(CC[3]CO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	C[6](C[6]C[6]HH)2(CC[3]CO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	114.0613	0.201	3	114.0613	0.041	3	114.0613	0.041	3	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:N-2:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	C(C[6]C[6]2H)(CH3)2(NC)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(NC)	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCCO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	111.1770	0.000	1	111.1770	0.000	1	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	110.1690	0.000	1	110.8840	6.365	4	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	114.3480	0.000	1	110.8840	6.365	4	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	109.5095	1.675	2	110.8840	6.365	4	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	112.0270	0.000	1	111.0385	1.954	2	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	110.0500	0.000	1	111.0385	1.954	2	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(OH)	116.1428	0.605	4	116.1428	0.366	4	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	114.9500	0.000	1	114.9500	0.000	1	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(OH)	113.6050	0.000	1	113.6050	0.000	1	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	112.1530	0.000	1	112.1530	0.000	1	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	115.0910	0.000	1	115.0910	0.000	1	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(OC)	112.8145	0.152	2	112.8145	0.023	2	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	113.9760	0.000	1	113.9760	0.000	1	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HH)2(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HH)2(CCCO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	112.9030	0.000	1	112.9030	0.000	1	113.1404	5.584	19	112.6415	5.467	48	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)2(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(COO)	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(CC3)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	109.8420	0.000	1	109.8420	0.000	1	113.4702	6.927	5	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(CCC)	C[6](C[6]C[6]HH)2(CC3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(CCC)	113.6810	0.000	1	113.6810	0.000	1	113.4702	6.927	5	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CH3)2(CCC)	C[6](C[6]C[6]HH)2(CC3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(CCC)	116.2170	0.000	1	116.2170	0.000	1	113.4702	6.927	5	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]HH)2(CC3)(H){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	111.9710	0.000	1	111.9710	0.000	1	113.4702	6.927	5	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CH3)2(COO)	C[6](C[6]C[6]HH)2(CC3)(H){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(COO)	115.6400	0.000	1	115.6400	0.000	1	113.4702	6.927	5	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(NCH)	113.5970	0.000	1	113.5970	0.000	1	113.6510	2.825	3	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C[6](C[6]C[6]HH)2(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C[6](C[6]C[6]HH)2(CCCN)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	115.3580	0.000	1	115.3580	0.000	1	113.6510	2.825	3	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)2(NCH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCCN)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(NCH)	111.9980	0.000	1	111.9980	0.000	1	113.6510	2.825	3	113.0549	6.278	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC[5]CC)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CC3)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)3	111.5360	1.205	2	111.5360	1.452	2	112.5143	4.671	4	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CH3)3	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)3	113.4925	2.955	2	113.4925	8.732	2	112.5143	4.671	4	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	112.6470	0.000	1	112.6470	0.000	1	112.7863	0.329	3	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.4170	0.000	1	113.4170	0.000	1	112.7863	0.329	3	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	112.2950	0.000	1	112.2950	0.000	1	112.7863	0.329	3	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[6]2H)(CH3)3	113.6040	0.000	1	113.6040	0.000	1	113.3485	0.131	2	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	113.0930	0.000	1	113.0930	0.000	1	113.3485	0.131	2	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	112.9792	0.871	5	112.9792	0.759	5	113.0997	1.175	11	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	111.0930	0.000	1	111.0930	0.000	1	113.0997	1.175	11	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	114.1360	0.000	1	114.1360	0.000	1	113.0997	1.175	11	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)2(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6,6]HH)2(CC3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	112.9935	1.371	2	112.9935	1.880	2	113.0997	1.175	11	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)2(CC3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6]C[6]2H)(CH3)3	113.9925	0.207	2	113.9925	0.043	2	113.0997	1.175	11	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.2920	0.000	1	114.2920	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	113.6020	0.000	1	113.6020	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	114.0650	0.000	1	114.0650	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(CH3)3	111.1977	0.545	3	111.1977	0.297	3	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.5820	0.000	1	113.5820	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	109.2900	0.000	1	109.2900	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.6155	0.009	2	113.6155	0.000	2	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.0890	0.000	1	114.0890	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.3570	1.133	2	114.2320	0.398	5	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.0705	0.469	2	114.2320	0.398	5	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.3050	0.000	1	114.2320	0.398	5	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)3	113.7365	0.091	2	113.7365	0.008	2	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)3	113.5740	0.458	2	113.5740	0.210	2	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.3325	0.084	2	114.3325	0.007	2	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.5617	0.341	3	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.9300	0.116	2	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.2525	0.513	4	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	114.4390	0.187	2	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	113.9368	0.554	32	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CH3)3	114.0300	0.477	6	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.4780	0.664	8	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.9509	0.441	14	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	114.9955	0.711	2	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)3	113.6655	0.384	2	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<5>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ti<11>,1|C<4>,1|C<5>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	114.7285	0.517	2	114.0585	0.322	77	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]CH)2(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CH3)3	113.2350	0.000	1	113.2350	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	117.5900	0.000	1	117.5900	0.000	1	113.9359	0.877	101	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC[6]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C(C[6]C[6]2H)2(CH3)2	C[6](C[6]C[6]HH)2(CC[6]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)2(CH3)2	114.3630	1.027	4	114.3630	1.056	4	114.3630	1.056	4	113.7786	1.103	127	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:3:3:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)3(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)3(C[6]C[6]2H)	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	111.5930	0.047	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.5117	0.178	3	111.5117	0.032	3	111.5117	0.032	3	111.5930	0.047	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	110.5695	0.392	2	110.5695	0.154	2	112.1304	3.842	8	112.1304	3.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	111.7890	0.000	1	112.3570	0.249	4	112.1304	3.842	8	112.1304	3.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	112.5463	0.398	3	112.3570	0.249	4	112.1304	3.842	8	112.1304	3.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	116.2760	0.000	1	116.2760	0.000	1	112.1304	3.842	8	112.1304	3.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HO)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	110.2000	0.000	1	110.2000	0.000	1	112.1304	3.842	8	112.1304	3.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	113.0215	0.852	2	113.0215	0.726	2	113.5217	1.114	3	113.5217	1.114	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	114.5220	0.000	1	114.5220	0.000	1	113.5217	1.114	3	113.5217	1.114	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	114.3280	0.183	3	114.9375	1.074	19	114.9375	1.074	19	114.9375	1.074	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	115.0517	1.094	16	114.9375	1.074	19	114.9375	1.074	19	114.9375	1.074	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HO)(OOs)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	111.3360	0.000	1	111.3360	0.000	1	111.2985	0.003	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	C(C[6]C[3,6]C[6]H)(H)3	111.2610	0.000	1	111.2610	0.000	1	111.2985	0.003	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[3x6]C[6]H)(H)3	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3x6]C[6]H)(H)3	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	C(C[6]C[5,6,6]C[6]H)(H)2(I)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[5,6]HO)(CHHI)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[6]H)(H)2(I)	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6,6]C[6]H)(H)3	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	112.6595	0.421	2	112.6595	0.177	2	112.6595	0.177	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5]O[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]CH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	112.1190	0.000	1	112.1190	0.000	1	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	112.3250	0.471	2	112.3250	0.222	2	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	106.9240	0.000	1	106.9240	0.000	1	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	112.6960	0.000	1	112.6960	0.000	1	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	112.8140	0.000	1	112.8140	0.000	1	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(CH3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	111.4120	0.000	1	111.4120	0.000	1	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]HO)(CH3)(H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	112.5120	0.000	1	112.5120	0.000	1	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HO)(CH3)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	111.9522	0.564	4	111.9522	0.318	4	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	111.4520	0.000	1	111.4520	0.000	1	111.7222	2.352	13	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(CH3)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]H)(H)3	109.9280	0.363	2	109.9280	0.132	2	109.9280	0.132	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	113.0830	0.000	1	113.0830	0.000	1	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.8940	0.000	1	110.8940	0.000	1	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	109.6860	0.000	1	111.0593	1.633	4	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.5770	0.000	1	111.0593	1.633	4	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.5780	0.000	1	111.0593	1.633	4	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.3960	0.000	1	111.0593	1.633	4	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.4400	0.000	1	110.7516	3.005	7	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.8820	0.000	2	110.7516	3.005	7	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9995	0.001	2	110.7516	3.005	7	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	109.0290	0.000	2	110.7516	3.005	7	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	113.1450	0.000	1	111.2720	2.633	3	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.3355	0.067	2	111.2720	2.633	3	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.3880	0.000	1	111.3880	0.000	1	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	108.2790	0.000	1	108.2790	0.000	1	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	111.9120	0.000	1	111.9120	0.000	1	110.9932	2.311	19	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2Cl)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(Cl)(H)2	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(H)3	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.3420	0.000	1	109.3420	0.000	1	108.2413	0.942	3	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	107.5090	0.000	1	107.5090	0.000	1	108.2413	0.942	3	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	107.8730	0.000	1	107.8730	0.000	1	108.2413	0.942	3	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.9285	1.204	2	110.9285	1.450	2	110.9285	1.450	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.7860	0.000	1	111.7860	0.000	1	112.4290	4.739	3	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.6460	0.000	1	110.6460	0.000	1	112.4290	4.739	3	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.8550	0.000	1	114.8550	0.000	1	112.4290	4.739	3	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.2920	0.000	1	111.2920	0.000	1	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	108.4790	0.000	1	108.4790	0.000	1	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.0690	0.000	1	111.0690	0.000	1	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6730	1.002	6	110.6730	1.004	6	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)2(CH3)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)2(CH3)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.4760	0.000	1	114.4760	0.000	1	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.0150	0.000	1	109.0150	0.000	1	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	108.9730	0.262	2	108.9730	0.068	2	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.2010	0.000	1	109.2010	0.000	1	110.3940	2.655	14	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(H){1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.1265	0.943	2	112.1265	0.888	2	112.1265	0.888	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(Cl)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCl3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(Cl)3	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	113.4880	0.000	1	113.4880	0.000	1	112.2511	1.294	11	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.2375	1.387	2	113.2375	1.923	2	112.2511	1.294	11	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.0610	0.593	5	112.0610	0.351	5	112.2511	1.294	11	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2670	0.841	2	111.4980	2.128	3	112.2511	1.294	11	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	109.9600	0.000	1	111.4980	2.128	3	112.2511	1.294	11	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(SS)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.0695	0.312	2	113.0695	0.097	2	113.0695	0.097	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.1300	0.000	1	112.1300	0.000	1	112.2115	0.013	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.2930	0.000	1	112.2930	0.000	1	112.2115	0.013	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(Br)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CBrHH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(Br)(H)2	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.5025	1.083	2	112.5025	1.172	2	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	110.9320	0.000	1	110.9320	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.4980	0.000	1	111.4980	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	C(C[6]C[6]2H)(H)3	109.3430	0.000	1	109.3430	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1360	0.000	1	112.1360	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	113.5062	0.830	6	113.5062	0.690	6	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	110.6980	0.000	1	110.6980	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	C(C[6]C[6]2H)(H)3	110.2100	0.000	1	110.2100	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	109.9210	0.430	2	109.9210	0.185	2	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.0140	0.000	1	113.0140	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.7827	0.520	3	110.7827	0.270	3	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2460	0.000	1	112.2460	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.5960	0.000	1	112.5960	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.4330	0.000	1	112.4330	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.0387	0.860	4	112.0387	0.740	4	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.0030	0.000	1	112.0030	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4440	0.000	1	112.4440	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.0810	0.000	1	111.0810	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.0280	0.000	1	112.0280	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	112.7110	0.000	1	112.7110	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.3615	1.143	2	110.3615	1.307	2	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.5770	0.000	1	111.5770	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	112.3445	0.668	6	112.3627	0.466	13	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.7895	0.697	4	112.3627	0.466	13	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.9330	0.513	2	112.3627	0.466	13	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.6240	0.000	1	112.3627	0.466	13	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.4885	0.064	2	113.1068	0.516	4	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	113.7250	0.123	2	113.1068	0.516	4	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	112.3350	0.000	1	112.3350	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.7370	0.000	1	111.7370	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.4130	0.000	1	112.4130	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.6145	0.788	2	111.6145	0.622	2	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HO)2(CH3)(H){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.1750	0.000	1	113.1750	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.9575	0.398	2	111.9575	0.158	2	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.1200	0.000	1	111.1200	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.3980	0.000	1	109.3980	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	111.1600	0.000	1	112.0662	0.300	5	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2927	0.241	4	112.0662	0.300	5	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.1390	0.000	1	111.1390	0.000	1	111.9999	1.258	68	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]O[6]H)(C[6]N[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6](C[6]C[6]2S)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	110.3130	0.000	1	110.3130	0.000	1	110.3130	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6]C[6]N[6]H)(H)3	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	114.0905	1.092	2	114.0905	1.194	2	114.0905	1.194	2	111.6382	2.410	157	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	C(C[6]C[3,6]C[6]H)(OC)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(OC)(H)2	111.9650	0.000	1	111.9650	0.000	1	111.9650	0.000	1	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CHHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(H)2	111.2540	0.000	1	111.2540	0.000	1	110.9725	0.158	2	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(OH)(H)2	110.6910	0.000	1	110.6910	0.000	1	110.9725	0.158	2	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	113.9525	0.145	2	113.9525	0.021	2	112.9598	1.278	6	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(H)2	112.5490	0.000	1	112.5490	0.000	1	112.9598	1.278	6	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(OC)(H)2	112.5590	0.000	1	112.5590	0.000	1	112.9598	1.278	6	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(OH)(H)2	111.0730	0.000	1	111.0730	0.000	1	112.9598	1.278	6	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]HS)(CHHO)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	113.6730	0.000	1	113.6730	0.000	1	112.9598	1.278	6	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	112.3029	1.368	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)2(OH)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(CC[6a]HH)(H){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)2	112.6155	0.507	2	112.6155	0.257	2	112.6155	0.257	2	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(COO)(H)2	112.9280	0.000	2	112.9280	0.000	2	112.9280	0.000	2	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2H)(CCC)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCC)(H)2	111.7755	0.779	2	111.7755	0.606	2	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2H)(CC[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6]C)(H)2	110.9545	0.172	2	110.9545	0.030	2	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	109.3820	0.000	1	109.3820	0.000	1	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	108.4630	0.000	1	108.4630	0.000	1	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCH)(H)2	111.8690	0.000	1	111.8690	0.000	1	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCH)(H)2	112.6910	0.742	2	112.6910	0.551	2	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCH)(H)2	111.5940	0.000	1	111.5940	0.000	1	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	114.7040	0.000	1	114.7040	0.000	1	111.5322	2.888	11	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	112.9647	0.570	4	112.9647	0.325	4	112.2802	1.503	10	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	111.7170	0.000	1	111.7170	0.000	1	112.2802	1.503	10	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	112.4270	0.939	4	112.4270	0.882	4	112.2802	1.503	10	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(NOO)(H)2	109.5180	0.000	1	109.5180	0.000	1	112.2802	1.503	10	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	113.7330	0.791	2	113.7330	0.625	2	113.7330	0.625	2	112.1559	2.089	27	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2H)(COO)(NCH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHN)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(COO)(NCH)(H)	112.3437	0.735	3	112.3437	0.541	3	112.3437	0.541	3	112.3437	0.541	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(C[6]C[6]HO)(CCHH)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.1070	0.000	1	113.1070	0.000	1	110.2387	14.143	3	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	111.6280	0.000	1	111.6280	0.000	1	110.2387	14.143	3	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HO)(CCHH)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	105.9810	0.000	1	105.9810	0.000	1	110.2387	14.143	3	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CHHO)(H)2	112.6950	0.304	2	112.6950	0.092	2	112.6950	0.092	2	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(SiC3)(H)2	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	112.4050	0.000	1	112.4050	0.000	1	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.6715	1.624	2	111.6715	2.638	2	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[5]C[6]C)(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	109.8590	0.000	1	109.8590	0.000	1	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	113.1830	0.000	1	113.1830	0.000	1	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	112.6255	0.664	2	112.6255	0.441	2	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.4620	0.000	1	114.4620	0.000	1	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.2350	0.199	2	113.2350	0.040	2	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(OH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	116.6892	1.020	6	116.6892	1.041	6	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.0320	0.000	1	113.4003	0.352	3	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	114.0850	0.000	1	113.4003	0.352	3	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.0840	0.000	1	113.4003	0.352	3	113.9636	4.991	19	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(SiC3)(H)2	C[6](C[6]C[6]HN)(C[6]C[6]HO)(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]2H)(SiC3)(H)2	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	C(C[6]C[6]N[6]H)(CHHO)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CHHO)(H)2	110.8940	0.000	1	110.8940	0.000	1	110.8940	0.000	1	113.1874	6.108	28	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HO)(CCHO)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	112.5695	0.060	2	112.5695	0.004	2	112.5695	0.004	2	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHN)(OC)(H)	112.8990	0.496	2	112.8990	0.246	2	115.0883	10.436	7	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)(OSi)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(OSi)(H)	116.0620	0.000	1	116.0620	0.000	1	115.0883	10.436	7	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHN)(OC)(H)	111.6390	0.000	1	111.6390	0.000	1	115.0883	10.436	7	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC3)(OSi)(H)	118.0650	0.000	1	119.2620	2.866	2	115.0883	10.436	7	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(CC3)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC3)(OSi)(H)	120.4590	0.000	1	119.2620	2.866	2	115.0883	10.436	7	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H)	C[6](C[6]C[6]CH)2(OSi)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCCH)(OSi)(H)	113.5950	0.000	1	113.5950	0.000	1	115.0883	10.436	7	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)2(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	C(C[6]C[6]2H)2(OC)(H)	110.9600	0.000	1	110.9600	0.000	1	111.6930	0.445	4	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	112.3770	0.000	1	112.3770	0.000	1	111.6930	0.445	4	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)2(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)2(OH)(H)	112.1230	0.000	1	112.1230	0.000	1	111.6930	0.445	4	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(CC[6]HO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]2H)(OH)(H)	111.3120	0.000	1	111.3120	0.000	1	111.6930	0.445	4	113.6561	8.007	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(CH3)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(CHH)(H)	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	113.6240	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCCH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	111.1400	0.068	2	111.1400	0.005	2	111.1400	0.005	2	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:F-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(F)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCF)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(F)	114.9210	0.000	1	114.9210	0.000	1	114.9210	0.000	1	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	114.1960	0.000	1	114.1960	0.000	1	113.5678	0.359	6	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.0950	0.000	1	113.7617	0.114	3	113.5678	0.359	6	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.5950	0.249	2	113.7617	0.114	3	113.5678	0.359	6	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	112.9630	0.574	2	112.9630	0.330	2	113.5678	0.359	6	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	C(C[6]C[6]2H)(CCHH)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)2(H)	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	115.9200	0.000	1	115.9200	0.000	1	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.3721	0.972	79	113.3721	0.945	79	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.7197	0.650	38	113.7197	0.423	38	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.9147	0.844	3	112.9147	0.712	3	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.5205	2.269	4	113.5205	5.148	4	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.0030	0.000	1	113.0030	0.000	1	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	115.6985	0.231	2	115.6985	0.053	2	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.2105	0.491	2	113.2105	0.242	2	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.8300	1.047	39	113.8300	1.097	39	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.3230	0.000	1	113.3230	0.000	1	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.4540	0.000	1	114.4540	0.000	1	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.3285	0.695	2	112.3285	0.483	2	113.5787	1.021	173	113.5640	1.064	184	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	114.9220	0.000	1	114.9220	0.000	1	114.9220	0.000	1	113.4704	0.848	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(OH)	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	113.4704	0.848	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CCCO)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	113.5320	0.000	1	113.5320	0.000	1	113.3273	0.089	3	113.4704	0.848	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CCCO)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	112.9840	0.000	1	112.9840	0.000	1	113.3273	0.089	3	113.4704	0.848	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCCO)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	113.4660	0.000	1	113.4660	0.000	1	113.3273	0.089	3	113.4704	0.848	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.1250	0.000	1	115.1250	0.000	1	114.8465	0.155	2	115.5392	12.547	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.5680	0.000	1	114.5680	0.000	1	114.8465	0.155	2	115.5392	12.547	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[5]CC)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	115.5392	12.547	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[6]CH)2(OC)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	115.5392	12.547	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CN)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	113.3457	0.939	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]OO)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	113.3457	0.939	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	114.4070	0.000	1	114.4070	0.000	1	114.4070	0.000	1	113.3457	0.939	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CO)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	113.3457	0.939	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN)2{3|C<3>,3|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	113.3950	0.113	2	113.3950	0.013	2	113.3950	0.013	2	113.3950	0.013	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	113.1620	0.000	1	113.1620	0.000	1	113.1620	0.000	1	113.1620	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-2:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OSi)(CC){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:2:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.8262	0.486	5	115.8262	0.236	5	115.8262	0.236	5	115.8262	0.236	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:S-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a])(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	112.5922	1.318	5	112.5922	1.736	5	112.5922	1.736	5	112.9123	1.515	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	114.1340	0.000	1	114.1340	0.000	1	113.7125	0.355	2	112.9123	1.515	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	113.2910	0.000	1	113.2910	0.000	1	113.7125	0.355	2	112.9123	1.515	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:2:4:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	114.1160	0.000	1	114.1160	0.000	1	113.0390	2.320	2	113.0390	2.320	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	111.9620	0.000	1	111.9620	0.000	1	113.0390	2.320	2	113.0390	2.320	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HN)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,8|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(NHS)(H)	112.9915	2.603	2	112.9915	6.775	2	112.9915	6.775	2	112.9915	6.775	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	113.5070	0.000	1	113.5070	0.000	1	113.5070	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[5,6,6]C[6]H)(H)3	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,1|N<2>,1|S<4>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(COO)(H){2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HN)(CH3)(H){4|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(CH3)(H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C(C[6]C[5,6]C[6]H)(H)3	110.9925	0.080	2	110.9925	0.006	2	110.9925	0.006	2	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	C(C[6]C[6]2F)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2F)(H)3	113.4690	0.000	1	113.4690	0.000	1	113.4690	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](CC[6a]N[6]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H){1|O<2>,5|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.7260	0.000	1	112.7260	0.000	1	112.3350	0.306	2	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]O[6]HH)(CH3)(H){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.9440	0.000	1	111.9440	0.000	1	112.3350	0.306	2	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]CH)(CH3)(H){2|C<3>,2|O<2>}	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6]C[6]CH)(COO)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	112.9750	0.000	1	112.9750	0.000	1	113.1365	0.052	2	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]CH)(CC[5a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.2980	0.000	1	113.2980	0.000	1	113.1365	0.052	2	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CNO)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(F)3	113.3185	0.438	2	113.3185	0.192	2	113.3185	0.192	2	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	111.0910	0.000	1	111.0910	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.4620	0.000	1	112.4620	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]O)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.8250	0.000	1	111.8250	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.9610	0.000	1	112.9610	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(CNO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(CNO)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1830	0.000	1	112.1830	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.6462	0.802	4	112.2532	0.760	6	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.4670	0.122	2	112.2532	0.760	6	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	114.2510	0.000	1	114.2510	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|N<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.3800	0.000	1	112.3800	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.8620	0.000	1	110.8620	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.1400	0.226	2	112.1400	0.051	2	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)2(CCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.6760	0.000	1	114.4145	6.045	2	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(CCO)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	116.1530	0.000	1	114.4145	6.045	2	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2H)(H)3	111.8810	0.000	1	114.4370	13.066	2	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(CC[6a]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(CC[6a]O)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	116.9930	0.000	1	114.4370	13.066	2	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]CH)2(COO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)2(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.8650	0.000	1	110.8650	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CN[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	113.9410	0.000	1	113.9410	0.000	1	112.6510	2.438	22	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:Br-1:Br-1:Br-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	C(C[6]C[6]2H)(Br)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CBr3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(Br)3	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.8020	0.000	1	112.8020	0.000	1	113.0305	1.978	11	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	112.7670	0.000	1	112.7670	0.000	1	113.0305	1.978	11	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.5510	0.000	1	110.5510	0.000	1	113.0305	1.978	11	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.1450	0.495	2	113.1450	0.245	2	113.0305	1.978	11	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HN)(C[6]N[6]HH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.8693	0.278	3	114.8693	0.077	3	113.0305	1.978	11	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HN)(C[6]O[6]CH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.6100	0.000	1	112.6100	0.000	1	113.0305	1.978	11	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H)	C[6](C[6]C[6]CH)2(NCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8540	0.000	2	111.8540	0.000	2	113.0305	1.978	11	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(O){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	112.7163	2.665	53	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(OSi)(H)2	112.1650	0.000	1	112.1650	0.000	1	111.6770	3.801	4	112.1903	2.170	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.4400	0.000	1	110.4400	0.000	1	111.6770	3.801	4	112.1903	2.170	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){3|C<3>,3|H<1>}	C(C[6]C[6]2H)(OC)(H)2	114.2140	0.000	1	114.2140	0.000	1	111.6770	3.801	4	112.1903	2.170	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)2(CHHO)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)2(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(COW)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	109.8890	0.000	1	109.8890	0.000	1	111.6770	3.801	4	112.1903	2.170	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	112.7035	0.749	4	112.7035	0.561	4	112.7035	0.561	4	112.1903	2.170	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H)	C(C[6]C[5,6]C[6]H)(NOO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHHN)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(NOO)(H)2	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(CC[6a]ClH)(H){1|I<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(Cl)(H)	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CC[6a]HH)(H){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	112.6940	1.160	2	112.6940	1.345	2	112.6940	1.345	2	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]2H)(CBrC)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5]C[5,6]C[5]H)(C[6]C[6]CH)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6]2H)(CBrC)(H)2	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(COO)(H)2	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	C(C[6]C[6]2H)(CC[5a]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CC[5a]O)(H)2	110.1210	0.000	1	110.1210	0.000	1	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CN[5]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(CN[5]O)(H)2	110.2230	0.000	1	110.2230	0.000	1	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	112.9550	0.000	1	112.9550	0.000	1	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	111.7030	0.000	1	111.7030	0.000	1	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CC[6]C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CC[6]C)(H)2	111.6805	1.074	2	111.6805	1.154	2	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(COO)(H)2	113.0170	0.000	1	113.0170	0.000	1	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CH)(C[6]S[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	114.9560	0.000	1	114.9560	0.000	1	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(COO)(H){1|C<3>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	111.9130	0.236	2	111.9130	0.056	2	112.0162	2.099	10	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H)	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	113.2600	0.000	1	113.2600	0.000	1	112.7364	2.289	7	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C(C[6]C[6]2H)(NCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCC)(H)2	113.9040	0.000	1	113.9040	0.000	1	112.7364	2.289	7	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCH)(H)2	113.1210	0.942	3	113.1210	0.887	3	112.7364	2.289	7	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NCH)(H)2	111.3140	2.415	2	111.3140	5.835	2	112.7364	2.289	7	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(COO)(H)2	115.2380	0.000	1	115.2380	0.000	1	113.0973	3.558	3	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]HN)(C[6]O[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	112.3750	0.000	1	112.3750	0.000	1	113.0973	3.558	3	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(COO)(H)2	111.6790	0.000	1	111.6790	0.000	1	113.0973	3.558	3	112.6783	2.295	26	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H)	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)2(H)	111.6030	0.000	1	111.6030	0.000	1	110.8270	1.204	2	110.8270	1.204	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6]CH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(COO)2(H)	110.0510	0.000	1	110.0510	0.000	1	110.8270	1.204	2	110.8270	1.204	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	113.3210	0.000	2	113.3210	0.000	2	113.3210	0.000	2	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.0650	0.000	1	112.0650	0.000	1	111.2260	5.287	3	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]CH)(CCO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.9880	0.000	1	112.9880	0.000	1	111.2260	5.287	3	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5a,6]CH)(C[6]C[5,6]CH)(CCHH)(H){4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[6]CH)(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	108.6250	0.000	1	108.6250	0.000	1	111.2260	5.287	3	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(CC[6a]O)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H){1|H<1>,3|C<4>}	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	118.7845	0.301	2	118.7845	0.090	2	118.5815	0.166	4	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H)	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(COO)(H){1|H<1>,3|C<4>}	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	118.3785	0.494	2	118.3785	0.244	2	118.5815	0.166	4	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H)	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(H){1|C<4>,2|H<1>}	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	113.7220	0.252	2	113.7220	0.063	2	113.7220	0.063	2	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(COO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	110.7760	0.000	1	110.7760	0.000	1	112.0175	2.001	4	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	113.9590	0.000	1	112.5765	3.823	2	112.0175	2.001	4	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CHHO)(H)2	111.1940	0.000	1	112.5765	3.823	2	112.0175	2.001	4	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	112.1410	0.000	1	112.1410	0.000	1	112.0175	2.001	4	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.8635	2.686	4	111.8635	7.214	4	111.8635	7.214	4	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.4040	0.000	1	111.4040	0.000	1	114.3960	17.904	2	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	117.3880	0.000	1	117.3880	0.000	1	114.3960	17.904	2	113.4485	9.339	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	113.3065	0.514	2	113.3065	0.264	2	113.3065	0.264	2	113.2603	0.139	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(OH)(H)	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.2603	0.139	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H)	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HN)(COO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	112.1039	1.688	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(NCH)(H)	115.0870	0.000	1	115.0870	0.000	1	112.7733	5.357	3	112.1039	1.688	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(NCH)(H)	111.6165	1.638	2	111.6165	2.684	2	112.7733	5.357	3	112.1039	1.688	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CCHH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(CNO)(H)	111.5938	0.947	5	111.5938	0.896	5	111.9083	0.901	7	112.1039	1.688	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CCHH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(COO)(H)	112.6945	0.301	2	112.6945	0.090	2	111.9083	0.901	7	112.1039	1.688	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C(C[6]C[6]2H)(CH3)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)(NCH)(H)	111.2210	0.000	1	111.2210	0.000	1	111.2210	0.000	1	112.1039	1.688	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:3:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H)	C(C[6]C[6]2H)(CCHH)(COO)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(COO)2	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6a]C[6]H)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	112.9940	1.773	2	112.9940	3.145	2	112.9940	3.145	2	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.2930	0.809	2	113.2930	0.654	2	113.2930	0.654	2	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.4130	0.000	1	112.4130	0.000	1	112.9856	0.327	11	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.9850	0.480	6	112.9850	0.230	6	112.9856	0.327	11	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.5870	0.266	2	113.5870	0.071	2	112.9856	0.327	11	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.0400	0.000	1	112.6725	0.800	2	112.9856	0.327	11	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.3050	0.000	1	112.6725	0.800	2	112.9856	0.327	11	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2H)(CH3)2(H)	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.8930	0.000	1	114.8930	0.000	1	114.8930	0.000	1	113.2407	0.951	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	C(C[6]C[6]2H)(CH3)2(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(NCH)	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	113.2900	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	115.9480	0.000	1	115.9480	0.000	1	114.8435	1.055	8	114.8435	1.055	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	115.8840	0.000	1	114.6808	1.198	6	114.8435	1.055	8	114.8435	1.055	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	114.4402	1.031	5	114.6808	1.198	6	114.8435	1.055	8	114.8435	1.055	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6]MoP)(C[6]C[6]CH)(CC3)(H){3|C<4>}	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2H)(CH3)3	114.7150	0.000	1	114.7150	0.000	1	114.8435	1.055	8	114.8435	1.055	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(CH3)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl){2|H<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(H)3	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	109.7250	0.000	1	109.7250	0.000	1	110.4055	0.926	2	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.0860	0.000	1	111.0860	0.000	1	110.4055	0.926	2	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	111.2130	0.000	1	111.2130	0.000	1	112.4070	0.754	5	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.9680	0.000	1	111.9680	0.000	1	112.4070	0.754	5	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.9513	0.504	3	112.9513	0.254	3	112.4070	0.754	5	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	112.1310	2.676	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:N-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(OSi)(H)2	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]O[6]HH)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	111.7606	1.341	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	112.0440	0.000	1	112.0440	0.000	1	111.5242	1.140	6	111.7606	1.341	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	111.1500	0.000	1	111.1500	0.000	1	111.5242	1.140	6	111.7606	1.341	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCH)(H)2	111.8030	0.000	1	111.4878	1.762	4	111.5242	1.140	6	111.7606	1.341	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCH)(H)2	111.3827	1.605	3	111.4878	1.762	4	111.5242	1.140	6	111.7606	1.341	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CCCH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	114.1655	0.087	2	114.1655	0.008	2	114.1655	0.008	2	114.4837	0.307	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:2:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.1200	0.000	1	115.1200	0.000	1	115.1200	0.000	1	114.4837	0.307	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(COO)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(COO)2{1|C<4>,2|C<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	115.2120	0.000	1	115.2120	0.000	1	114.6470	2.135	4	114.5120	1.692	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)2{3|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	115.3230	0.000	1	115.3230	0.000	1	114.6470	2.135	4	114.5120	1.692	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(COO)2	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(COO)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2H)(H)3	114.0265	2.204	2	114.0265	4.858	2	114.6470	2.135	4	114.5120	1.692	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	114.5120	1.692	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(COO)	C(C[6]C[6]2H)(CBrC)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(COO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CBrC)(H)2	110.6820	0.000	1	110.6820	0.000	1	113.8400	19.946	2	113.8400	19.946	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)2(COO)2	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(COO)2{1|C<4>,2|C<2>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	116.9980	0.000	1	116.9980	0.000	1	113.8400	19.946	2	113.8400	19.946	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6a]CH)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)2{1|H<1>,3|C<3>}	C(C[6]C[6]2H)(CCHH)(H)2	114.5005	0.650	2	114.5005	0.422	2	115.2525	0.979	4	115.2525	0.979	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	116.3590	0.000	1	116.3590	0.000	1	115.2525	0.979	4	115.2525	0.979	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH){1|C<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	115.6500	0.000	1	115.6500	0.000	1	115.2525	0.979	4	115.2525	0.979	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	112.5525	5.455	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CN[5]O)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	112.5525	5.455	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	107.9440	0.595	2	107.9440	0.354	2	107.9440	0.354	2	110.9872	5.988	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(COO)(H)2	111.3530	0.000	1	111.3530	0.000	1	112.5087	0.601	4	110.9872	5.988	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(COO)(H)2	112.8800	0.000	1	112.9430	0.008	2	112.5087	0.601	4	110.9872	5.988	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(COO)(H)2	113.0060	0.000	1	112.9430	0.008	2	112.5087	0.601	4	110.9872	5.988	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:3:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)(CH3){3|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	112.7960	0.000	1	112.7960	0.000	1	112.5087	0.601	4	110.9872	5.988	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	111.6740	0.148	3	111.6740	0.022	3	111.6740	0.022	3	112.7562	1.598	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	114.0295	0.837	2	113.8383	0.460	3	113.8383	0.460	3	112.7562	1.598	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)2	113.4560	0.000	1	113.8383	0.460	3	113.8383	0.460	3	112.7562	1.598	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	114.4115	0.643	4	114.4115	0.414	4	114.4115	0.414	4	114.4115	0.414	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CC[6a]CC)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	116.1910	0.000	1	116.1910	0.000	1	116.1910	0.000	1	116.1910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]H)(H)3	110.6050	0.000	1	111.2420	0.812	2	111.2420	0.812	2	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6,6]C[6]H)(H)3	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]H)(H)3	111.8790	0.000	1	111.2420	0.812	2	111.2420	0.812	2	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C(C[6]C[5,6]C[6]H)(H)2(I)	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){2|C<4>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)2(I)	113.0860	0.215	2	113.0860	0.046	2	112.8939	4.947	8	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C(C[6]C[5,6]C[6]H)(H)2(I)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	C(C[6]C[5,6]C[6]H)(H)2(I)	109.2590	0.000	1	109.2590	0.000	1	112.8939	4.947	8	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C(C[6]C[5,6]C[6]H)(H)2(I)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[4,5]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,6|C<3>}	C(C[6]C[5,6]C[6]H)(H)2(I)	112.9430	0.204	2	112.9430	0.041	2	112.8939	4.947	8	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H)	C(C[6]C[5,6]C[6]H)(H)2(I)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,1|O<1>,4|C<3>}	C(C[6]C[5,6]C[6]H)(H)2(I)	117.3910	0.000	1	117.3910	0.000	1	112.8939	4.947	8	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H)	C(C[6]C[5,6]C[6]H)(H)2(I)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[5,6]CH)(CHHI)(H){1|C<4>,5|C<3>}	C(C[6]C[5,6]C[6]H)(H)2(I)	112.2215	0.344	2	112.2215	0.119	2	112.8939	4.947	8	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H){1|C<5>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	115.8130	0.000	1	115.8130	0.000	1	113.3013	5.305	3	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	112.8030	0.000	1	112.8030	0.000	1	113.3013	5.305	3	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	111.2880	0.000	1	111.2880	0.000	1	113.3013	5.305	3	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.2760	0.000	1	111.2760	0.000	1	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	112.3225	1.614	2	110.9875	1.605	13	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.2243	0.504	3	110.9875	1.605	13	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	110.7330	1.063	5	110.9875	1.605	13	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	108.2980	0.000	1	110.9875	1.605	13	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(H)3	111.2780	0.414	2	110.9875	1.605	13	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6,6]C[6]H)(H)3	111.8890	0.000	1	111.8890	0.000	1	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]H)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6]H)(H)3	111.3870	0.000	1	111.3870	0.000	1	111.0868	1.344	16	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl)	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	C(C[6]C[6]2Cl)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	113.7590	0.000	1	113.7590	0.000	1	113.7590	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.8960	0.000	1	111.4492	0.327	29	111.4262	0.331	30	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.2129	0.502	16	111.4492	0.327	29	111.4262	0.331	30	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.7270	0.551	12	111.4492	0.327	29	111.4262	0.331	30	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>,4|O<2>}	C(C[6]C[6]2H)(H)3	110.7610	0.000	1	110.7610	0.000	1	111.4262	0.331	30	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	114.1370	0.000	3	114.1370	0.000	3	114.1370	0.000	3	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.9980	0.000	1	111.9240	0.011	2	111.9240	0.011	2	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	111.8500	0.000	1	111.9240	0.011	2	111.9240	0.011	2	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]CH)(CH3)(H){1|C<5>,1|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	113.2120	0.000	1	113.2120	0.000	1	112.7437	2.149	7	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]CH)(CH3)(H){2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.7540	0.000	1	111.7540	0.000	1	112.7437	2.149	7	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	115.4410	0.000	1	115.4410	0.000	1	112.7437	2.149	7	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.3890	0.000	1	112.3890	0.000	1	112.7437	2.149	7	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	112.6930	0.000	1	112.6930	0.000	1	112.7437	2.149	7	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.0250	0.000	1	113.0250	0.000	1	112.7437	2.149	7	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	110.6920	0.000	1	110.6920	0.000	1	112.7437	2.149	7	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(CH3)(H){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HO)(CH3)(H){1|Fe<10>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.6370	0.000	1	112.6370	0.000	1	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	113.6760	0.000	1	113.6760	0.000	1	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.0770	0.000	1	112.9235	0.047	2	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.7700	0.000	1	112.9235	0.047	2	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	111.1245	0.808	2	112.0138	1.092	13	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	113.2277	0.987	3	112.0138	1.092	13	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.1842	0.648	5	112.0138	1.092	13	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	110.7730	0.000	1	112.0138	1.092	13	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)(H){2|H<1>,6|C<4>}	C(C[6]C[6]2H)(H)3	111.2765	0.217	2	112.0138	1.092	13	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(H)3	116.0770	0.000	1	116.0770	0.000	1	112.4676	1.809	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CH3)(H){1|Zr<15>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	113.2375	1.401	2	113.2375	1.962	2	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.3510	0.000	2	113.3510	0.000	2	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.6770	0.000	1	111.6770	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.4750	0.000	1	112.4750	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	114.3040	0.000	1	114.3040	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.9930	0.000	1	113.9930	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.8040	0.491	2	112.9010	0.101	4	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.9980	0.161	2	112.9010	0.101	4	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(H)3	112.7715	0.469	2	112.7715	0.220	2	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCCH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.6070	0.000	1	113.6070	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.0550	0.000	1	112.0550	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	110.2410	0.000	1	110.2410	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CHHI)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	111.4600	0.000	1	111.4600	0.000	1	112.7853	1.066	18	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHI)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)2(I)	115.4980	0.000	2	115.4980	0.000	2	114.4750	3.140	3	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]CH)2(CHHI)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)2(I)	C[6](C[6]C[6]CH)2(CHHI)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(H)2(I)	112.4290	0.000	1	112.4290	0.000	1	114.4750	3.140	3	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[6]2H)(H)3	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(H)3	111.7850	0.000	1	111.7850	0.000	1	112.5645	1.215	2	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]HS)(C[6]O[6]CH)(CH3)(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]2H)(H)3	113.3440	0.000	1	113.3440	0.000	1	112.5645	1.215	2	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]SiH)(C[6]C[6]HO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(H)3	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.2235	0.194	4	112.2235	0.038	4	112.2235	0.038	4	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	C(C[6]C[6]P[6]H)(H)3	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	C(C[6]C[6]P[6]H)(H)3	113.2360	0.000	1	113.2360	0.000	1	113.2360	0.000	1	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	Si[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H)	C(C[6]Si[6]C[6]H)(H)3	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]Si[5,6,6]HH)(C[6]Si[6]CH)(CH3)(H){2|C<3>,3|C<4>}	C(C[6]Si[6]C[6]H)(H)3	111.1523	0.518	4	111.1523	0.269	4	111.1523	0.269	4	112.2084	2.030	128	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	112.9860	0.000	1	114.2265	3.078	2	114.2265	3.078	2	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(OH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(OH)(H)2	115.4670	0.000	1	114.2265	3.078	2	114.2265	3.078	2	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(OC)(H)2	113.6480	0.000	1	113.6480	0.000	1	113.6480	0.000	1	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2H)(CN)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CN)(H)2	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(OH)(H)2	113.0260	0.000	1	113.0260	0.000	1	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	111.6080	0.000	1	111.6080	0.000	1	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(OC[6a])(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC[6a])(H)2	111.6045	2.843	2	111.6045	8.084	2	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	114.6980	0.000	1	114.6980	0.000	1	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C[6](C[6]C[6]CH)2(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	113.6130	0.000	1	113.6130	0.000	1	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C[6](C[6]C[6]CH)2(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	115.9470	0.000	1	115.9470	0.000	1	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CH)2(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	113.7235	1.838	2	113.7235	3.377	2	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHO)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(OH)(H)2	113.8460	0.000	1	113.8460	0.000	1	113.3394	3.317	10	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(OC)(H)2	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	113.1284	4.093	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(CN[5]O)(H)2	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]CH)(CHHO)(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C(C[6]C[6]2H)(CN[5]O)(H)2	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	110.6840	0.258	4	110.6840	0.066	4	110.6840	0.066	4	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CH)(CH3)(H){1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[6]2H)(COO)(H)2	113.5520	0.000	1	113.5520	0.000	1	113.1630	0.303	2	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	112.7740	0.000	1	112.7740	0.000	1	113.1630	0.303	2	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	110.4460	0.264	2	110.4460	0.070	2	110.8310	0.480	3	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|Pt<4>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(CNO)(H)2	111.6010	0.000	1	111.6010	0.000	1	110.8310	0.480	3	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(NCH)(H)2	112.8800	0.000	1	112.8800	0.000	1	112.5875	0.171	2	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H)	C(C[6]C[6]2H)(NCH)(H)2	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2H)(NCH)(H)2	112.2950	0.000	1	112.2950	0.000	1	112.5875	0.171	2	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CHH)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CHH)(H)2	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	111.6519	3.366	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(OSi)(H)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCH)(OSi)(H)	111.8645	0.192	2	111.8645	0.037	2	111.8117	0.027	3	111.8117	0.027	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(OH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2H)(CCH)(OH)(H)	111.7060	0.000	1	111.7060	0.000	1	111.8117	0.027	3	111.8117	0.027	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6](C[6]C[6]CH)2(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(COO)2(H)	C[6](C[6]C[6]CH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)2(H)	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[3,6]C[6]H)(CH3)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3,6]C[6]H)(CH3)(H)2	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	110.8150	0.000	1	111.1492	0.135	29	111.1116	0.173	30	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){1|N<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	111.0741	0.395	16	111.1492	0.135	29	111.1116	0.173	30	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	111.2771	0.308	12	111.1492	0.135	29	111.1116	0.173	30	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>,4|O<2>}	C[6](C[6]C[3x6]CH)(C[6]C[6]HO)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	110.0230	0.000	1	110.0230	0.000	1	111.1116	0.173	30	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	112.1790	0.000	2	113.2157	3.224	3	112.6668	1.741	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	115.2890	0.000	1	113.2157	3.224	3	112.6668	1.741	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	111.8450	0.000	2	112.1180	0.224	3	112.6668	1.741	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCHH)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)(H)2	112.6640	0.000	1	112.1180	0.224	3	112.6668	1.741	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	115.3550	0.000	1	115.3550	0.000	1	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	113.6993	0.532	4	113.6993	0.283	4	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	115.0220	0.000	1	115.0220	0.000	1	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	114.1900	0.000	1	114.1900	0.000	1	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	110.1870	0.000	1	110.1870	0.000	1	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	109.9850	0.000	1	109.9850	0.000	1	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	110.5395	0.336	2	110.5395	0.113	2	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CC[6a]HH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	110.6597	0.398	3	110.6597	0.158	3	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	110.5910	0.000	1	110.5910	0.000	1	112.2123	4.023	15	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(CCHH)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	112.7880	0.000	1	112.7880	0.000	1	112.7880	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6]H)(CCHH)(H){2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[5]O[5]2H)(C[6]C[6]HH)(H){2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	114.5120	0.000	1	114.5120	0.000	1	112.4326	4.297	7	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	109.5290	0.000	1	110.6020	2.303	2	112.4326	4.297	7	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	111.6750	0.000	1	110.6020	2.303	2	112.4326	4.297	7	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	115.0960	0.000	1	115.0960	0.000	1	112.4326	4.297	7	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	111.1770	0.402	2	111.1770	0.161	2	112.4326	4.297	7	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]H)(CH3)(H)2	113.8620	0.000	1	113.8620	0.000	1	112.4326	4.297	7	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	114.6650	0.000	1	114.9740	0.191	2	114.1082	1.184	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHO)(H)2	115.2830	0.000	1	114.9740	0.191	2	114.1082	1.184	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.1080	0.000	1	114.1080	0.000	1	114.1082	1.184	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CH3)(H)2	114.0220	0.000	1	114.0220	0.000	1	114.1082	1.184	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.2855	1.694	2	113.2855	2.868	2	114.1082	1.184	6	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	111.9625	0.439	2	111.9625	0.193	2	111.9625	0.193	2	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]ClC)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	107.9995	0.217	2	107.9995	0.047	2	108.4775	0.416	4	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	108.9555	0.537	2	108.9555	0.288	2	108.4775	0.416	4	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	113.1830	0.000	1	113.1830	0.000	1	113.1830	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(CCHH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	111.3120	0.181	2	111.3120	0.033	2	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	109.9520	0.000	1	109.9520	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	114.0540	0.000	1	114.0540	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[5a]O[6]O)(C[6]C[6]CH)(CCHO)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.6755	0.808	2	113.6755	0.653	2	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.9810	0.000	1	113.9810	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	116.6037	0.453	4	116.6037	0.205	4	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H)	C(C[6]C[6]2H)(CCoCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCoCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCoCH)(H)2	111.4690	0.000	1	111.4690	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	C(C[6]C[6]2H)(CCCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCCH)(H)2	110.3600	0.000	1	110.3600	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]O[6]CO)(CCHO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.1800	0.000	1	114.1800	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	C(C[6]C[6]2H)(CC[5]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]HH)(H)2	113.5955	0.056	2	113.5955	0.003	2	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	115.2895	0.127	2	115.2493	0.013	3	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]CH)(H)2	115.1690	0.000	1	115.2493	0.013	3	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	114.3125	0.047	2	114.3125	0.002	2	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	112.7380	0.000	1	112.7380	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)2(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	113.2768	1.001	4	113.2768	1.002	4	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CN[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HP)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C(C[6]C[6]2H)(CN[6]HH)(H)2	109.3450	0.000	1	109.3450	0.000	1	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	111.3890	0.410	2	111.3890	0.168	2	113.4454	4.201	29	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H)	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN[5]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(N[6]C[6]2H)(H)2	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PC[6a]2Ru)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(PC[6a]2Ru)(H)2	114.1245	2.015	2	114.1245	4.058	2	113.4708	1.926	4	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H)	C(C[6]C[6]2H)(PPdCC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHP)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(PPdCC)(H)2	112.8170	0.099	2	112.8170	0.010	2	113.4708	1.926	4	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2H)(CH3)(H)2	114.7705	0.218	2	114.7705	0.048	2	113.5313	4.630	3	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)(H)2	111.0530	0.000	1	111.0530	0.000	1	113.5313	4.630	3	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	C(C[6]C[6]P[6]H)(CCHH)(H)2	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]P[6]H)(CCHH)(H)2	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	114.8395	0.264	2	114.8395	0.070	2	115.1900	0.403	3	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	115.8910	0.000	1	115.8910	0.000	1	115.1900	0.403	3	112.4404	4.012	118	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)2(CC[5]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]CH)2(CC[5]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	116.8475	1.027	2	116.8475	1.056	2	116.8475	1.056	2	114.6262	9.935	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H)	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	114.6262	9.935	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	114.5280	0.000	1	114.5280	0.000	1	114.5280	0.000	1	114.6262	9.935	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(CH3)(COO)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CH3)(COO)(H)	114.8330	0.000	1	114.8330	0.000	1	114.8330	0.000	1	113.7070	2.221	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(CCHN)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	113.1440	1.594	2	113.1440	2.540	2	113.1440	2.540	2	113.7070	2.221	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Rh<8>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.4470	0.000	1	114.4470	0.000	1	113.9145	0.115	8	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Hf<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Hf)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.8910	0.017	2	113.8910	0.000	2	113.9145	0.115	8	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Ti<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Ti)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.9885	0.132	2	113.9885	0.017	2	113.9145	0.115	8	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<12>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.6340	0.000	1	113.7033	0.179	3	113.9145	0.115	8	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCCH)(H){1|Zr<14>,3|C<4>,4|H<1>}	C[6](C[5]C[5]2Zr)(C[6]C[6]CH)(C[6]C[6]HH)(H){4|C<4>,5|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.7380	0.593	2	113.7033	0.179	3	113.9145	0.115	8	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6]C[3]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[3]C[3,6]2H)(C[6]C[6]CH)(H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,3|O<2>,4|C<4>,6|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:Cl-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	119.2390	0.000	1	119.2390	0.000	1	119.2390	0.000	1	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CCHO)(CH3)(H)	115.9940	0.000	1	115.9940	0.000	1	115.9940	0.000	1	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.5250	0.000	1	114.5250	0.000	1	114.4933	4.087	3	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CH3)2(H)	112.4560	0.000	1	112.4560	0.000	1	114.4933	4.087	3	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CH3)2(H)	116.4990	0.000	1	116.4990	0.000	1	114.4933	4.087	3	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PBHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.4720	0.000	1	113.4720	0.000	1	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2H)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	113.2180	0.000	1	113.2180	0.000	1	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2O)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.1365	0.661	4	114.1365	0.437	4	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]2Ru)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	117.6147	0.258	3	117.6147	0.066	3	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	116.1510	0.320	2	116.1510	0.102	2	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]BO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.9573	0.563	3	114.9573	0.318	3	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]CO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.8019	0.533	9	114.8019	0.284	9	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PC[6a]PdC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.9330	0.000	1	115.9330	0.000	1	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PPtCC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.1700	0.820	2	115.1700	0.673	2	115.1055	1.511	26	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2H)(CH3)2(H)	113.0210	0.000	1	113.0210	0.000	1	113.0210	0.000	1	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	P-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H)	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CCCH)(H){1|C<4>,4|H<1>}	C[6](PC[6a]C[6]Ni)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	116.4030	0.341	2	116.4030	0.116	2	116.4030	0.116	2	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2H)(CH3)2(H)	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	114.9620	0.422	3	114.9620	0.178	3	115.2606	0.465	5	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](P[6]C[6,6a]O[6]Pd)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.7085	0.913	2	115.7085	0.833	2	115.2606	0.465	5	114.9295	1.903	50	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H)	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CC[6]CO)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,5|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	111.9510	5.618	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]2H)(CH3)2(OH)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCCO)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(OH)	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	111.9510	5.618	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.6020	0.000	1	115.6020	0.000	1	117.9756	14.438	5	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	116.6400	0.000	1	118.5690	16.903	4	117.9756	14.438	5	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	113.6940	0.000	1	118.5690	16.903	4	117.9756	14.438	5	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	121.9710	0.273	2	118.5690	16.903	4	117.9756	14.438	5	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	119.0880	0.000	1	118.8080	0.157	2	118.8080	0.157	2	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	C[6](C[6]C[3,6]CH)(C[3]C[3]2C)(C[6]C[6]HH)(H){2|Cl<1>,2|C<4>,5|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	118.5280	0.000	1	118.8080	0.157	2	118.8080	0.157	2	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(CC3)(H){2|H<1>,2|O<2>,4|C<4>}	C[6](C[3]C[3]O[3]C)(C[6]C[3,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	116.9020	0.000	1	116.9020	0.000	1	116.9020	0.000	1	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC3)(H){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClCC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	118.7850	0.000	1	118.7850	0.000	1	118.6500	3.095	3	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2H)(CCHH)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)2	120.3380	0.000	1	120.3380	0.000	1	118.6500	3.095	3	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2H)(CH3)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CC3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2H)(CH3)3	116.8270	0.000	1	116.8270	0.000	1	118.6500	3.095	3	118.2133	6.738	11	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(H)2	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	112.7148	0.825	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	113.3130	0.000	1	113.3130	0.000	1	112.6173	1.181	3	112.7148	0.825	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(H)2	112.2695	1.279	2	112.2695	1.636	2	112.6173	1.181	3	112.7148	0.825	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:I-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(H)2(I)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(H)2(I)	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HO)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.8185	0.426	2	113.8185	0.182	2	113.9463	0.546	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C(C[6]C[6]2H)(H)3	113.7050	0.000	1	114.1860	0.482	6	113.9463	0.546	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.5460	0.000	1	114.1860	0.482	6	113.9463	0.546	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	114.1270	0.000	1	114.1860	0.482	6	113.9463	0.546	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2H)(H)3	113.7580	0.000	1	114.1860	0.482	6	113.9463	0.546	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.9900	0.540	2	114.1860	0.482	6	113.9463	0.546	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(C[6]C[6]HH)(OSi){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.7640	0.000	1	112.7640	0.000	1	113.9463	0.546	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	114.2717	2.437	3	114.2717	5.939	3	113.5191	2.906	7	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.6755	1.327	2	112.9548	0.861	4	113.5191	2.906	7	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.2340	0.714	2	112.9548	0.861	4	113.5191	2.906	7	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	111.2120	0.000	1	113.7880	13.272	2	114.1484	2.421	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	116.3640	0.000	1	113.7880	13.272	2	114.1484	2.421	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HO)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	112.9280	0.573	2	112.9280	0.328	2	114.1484	2.421	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	114.7905	0.420	4	114.7905	0.176	4	114.1484	2.421	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	C(C[6]C[6]2H)(H)3	114.7420	0.000	1	114.7420	0.000	1	114.1484	2.421	9	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	116.1910	0.000	1	116.1910	0.000	1	112.8686	1.897	8	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.5550	0.361	3	112.5550	0.130	3	112.8686	1.897	8	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.5790	0.000	1	112.5790	0.000	1	112.8686	1.897	8	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.1890	0.000	1	112.1890	0.000	1	112.8686	1.897	8	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.4260	0.000	1	112.4260	0.000	1	112.8686	1.897	8	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	111.8990	0.000	1	111.8990	0.000	1	112.8686	1.897	8	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	C(C[6]C[6]2H)(F)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(F)3	115.4050	0.000	1	115.4050	0.000	1	115.4050	0.000	1	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	110.3130	0.000	1	110.3130	0.000	1	112.9448	1.161	15	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.3085	0.927	2	114.3085	0.859	2	112.9448	1.161	15	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	112.7918	0.433	8	112.7918	0.187	8	112.9448	1.161	15	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.5500	0.000	1	114.5500	0.000	1	112.9448	1.161	15	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(H)3	112.8525	0.760	2	112.8525	0.578	2	112.9448	1.161	15	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	112.6530	0.000	1	112.6530	0.000	1	112.9448	1.161	15	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2H)(H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)2(O)	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(CN){1|O<2>,4|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	113.3306	2.075	52	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	111.2380	0.000	1	111.2380	0.000	1	111.2380	0.000	1	111.0709	1.234	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	110.9140	0.000	1	111.4807	0.420	3	111.4807	0.420	3	111.0709	1.234	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	111.3410	0.000	1	111.4807	0.420	3	111.4807	0.420	3	111.0709	1.234	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	112.1870	0.000	1	111.4807	0.420	3	111.4807	0.420	3	111.0709	1.234	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OH)(H)2	112.3180	0.000	1	112.3180	0.000	1	110.6053	2.693	3	111.0709	1.234	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OC)(H)2	110.4510	0.000	1	109.7490	0.986	2	110.6053	2.693	3	111.0709	1.234	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OC)(H)2	109.0470	0.000	1	109.7490	0.986	2	110.6053	2.693	3	111.0709	1.234	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	C(C[6]C[5,6]C[6]H)(CC[5]C)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5]C[6]O)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]C)(H)2	116.4505	0.183	2	116.4505	0.034	2	116.4505	0.034	2	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CC[5a]O)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[5a]O)(H)2	111.5840	0.000	1	111.5840	0.000	1	110.8893	0.425	4	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(CNO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CNO)(H)2	110.6577	0.562	3	110.6577	0.316	3	110.8893	0.425	4	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[5]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)2	111.1525	0.098	2	111.1525	0.010	2	111.2370	0.026	3	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]N[6a])(H)2	111.4060	0.000	1	111.4060	0.000	1	111.2370	0.026	3	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	C(C[6]C[6]2H)(CCC)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCC)(H)2	114.4110	0.361	2	114.4110	0.130	2	114.4110	0.130	2	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2H)(CCC)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	C(C[6]C[6]2H)(CCC)(H)2	116.4650	0.000	1	116.4650	0.000	1	114.6810	6.365	2	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	112.8970	0.000	1	112.8970	0.000	1	114.6810	6.365	2	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C(C[6]C[6]2H)(CHH)(H)2	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6]2H)(CHH)(H)2	116.1420	0.000	1	116.1420	0.000	1	116.1420	0.000	1	112.9041	6.689	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	111.7350	0.000	1	111.7350	0.000	1	113.3930	5.498	2	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	115.0510	0.000	1	115.0510	0.000	1	113.3930	5.498	2	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.1905	0.504	2	112.1905	0.254	2	112.1250	0.140	3	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	111.9940	0.000	1	111.9940	0.000	1	112.1250	0.140	3	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	113.5760	0.000	1	113.5760	0.000	1	114.7473	1.931	7	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	115.9410	0.000	1	115.9410	0.000	1	114.7473	1.931	7	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	112.1960	0.000	1	112.1960	0.000	1	114.7473	1.931	7	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.6040	0.621	2	115.6040	0.385	2	114.7473	1.931	7	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[6]2H)(CHHO)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CHHO)(H)2	115.1550	0.303	2	115.1550	0.092	2	114.7473	1.931	7	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	113.5793	4.143	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	119.8240	0.000	1	119.8240	0.000	1	119.8240	0.000	1	119.8240	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[5,6]HO)(CCCH)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	113.8950	1.423	2	113.8950	2.024	2	113.8950	2.024	2	115.4656	1.551	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	115.4225	1.140	6	115.4225	1.300	6	115.7797	1.013	10	115.4656	1.551	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CHHO)(CH3)(H)	116.4975	0.009	2	116.4975	0.000	2	115.7797	1.013	10	115.4656	1.551	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)2(H)	116.1335	0.754	2	116.1335	0.569	2	115.7797	1.013	10	115.4656	1.551	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[6]2H)(H)3	115.5510	0.000	1	115.5510	0.000	1	115.3510	0.080	2	114.1013	1.764	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO){1|C<2>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2H)(H)3	115.1510	0.000	1	115.1510	0.000	1	115.3510	0.080	2	114.1013	1.764	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.8970	0.000	1	113.8970	0.000	1	113.9277	1.881	9	114.1013	1.764	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.9315	1.466	8	113.9315	2.150	8	113.9277	1.881	9	114.1013	1.764	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CP)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(H)3	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	114.1013	1.764	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	112.7880	0.000	1	112.7590	0.002	2	112.7590	0.002	2	113.2147	0.624	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	112.7300	0.000	1	112.7590	0.002	2	112.7590	0.002	2	113.2147	0.624	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(OSi)(H)2	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	113.2147	0.624	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	114.3800	0.154	2	114.3800	0.024	2	114.0497	0.339	3	112.5164	5.855	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	C(C[6]C[6,6]C[6]H)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCH)(H)2	113.3890	0.000	1	113.3890	0.000	1	114.0497	0.339	3	112.5164	5.855	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(COO)(H)2	109.3785	0.115	2	109.3785	0.013	2	109.3785	0.013	2	112.5164	5.855	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CC)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO)	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]CC)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(NOO)(H)2	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	112.5164	5.855	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2H)(COO)(H)2	115.6940	0.000	1	115.6940	0.000	1	114.2685	4.064	2	112.5164	5.855	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	C(C[6]C[6]2H)(CCO)(H)2	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2H)(CCO)(H)2	112.8430	0.000	1	112.8430	0.000	1	114.2685	4.064	2	112.5164	5.855	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.3870	0.000	1	114.3870	0.000	1	114.3870	0.000	1	113.7807	3.731	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	114.1990	0.300	2	114.1990	0.090	2	112.9920	1.943	5	113.7807	3.731	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	113.5190	0.000	1	112.1873	1.413	3	112.9920	1.943	5	113.7807	3.731	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	111.5215	0.407	2	112.1873	1.413	3	112.9920	1.943	5	113.7807	3.731	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:C-3:	C[6]-4:S-4:Br-1:H-1:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	C(C[6]C[6]2H)(SC[6a]OO)(Br)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(CBrHS)(H){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	C(C[6]C[6]2H)(SC[6a]OO)(Br)(H)	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	113.7807	3.731	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	115.3303	1.848	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	114.4810	1.385	2	114.4810	1.917	2	115.6826	1.398	10	115.3303	1.848	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	115.9830	1.004	8	115.9830	1.007	8	115.6826	1.398	10	115.3303	1.848	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C(C[6]C[6]2H)(CH3)(OH)(H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2H)(CH3)(OH)(H)	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	115.3303	1.848	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OC)	119.0310	0.000	1	117.1280	2.942	3	117.1280	2.942	3	117.1280	2.942	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	115.7010	0.000	1	117.1280	2.942	3	117.1280	2.942	3	117.1280	2.942	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:3:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OC)	116.6520	0.000	1	117.1280	2.942	3	117.1280	2.942	3	117.1280	2.942	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)(H)2	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	114.9685	1.554	2	114.9685	2.413	2	114.9685	2.413	2	115.0924	0.861	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	115.2415	0.441	2	115.2415	0.194	2	115.1420	0.677	5	115.0924	0.861	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OC)(H)	115.4160	0.000	1	115.4160	0.000	1	115.1420	0.677	5	115.0924	0.861	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	3:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(OH)(H)	114.9055	1.520	2	114.9055	2.309	2	115.1420	0.677	5	115.0924	0.861	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.0630	0.327	2	114.0527	0.054	3	115.5345	0.992	14	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.0320	0.000	1	114.0527	0.054	3	115.5345	0.992	14	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	115.9354	0.699	10	115.9354	0.489	10	115.5345	0.992	14	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	115.9710	0.000	1	115.9710	0.000	1	115.5345	0.992	14	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	115.6763	0.237	3	115.6763	0.056	3	115.3035	0.593	4	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	114.1850	0.000	1	114.1850	0.000	1	115.3035	0.593	4	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6]2H)(H)3	115.7690	0.000	1	115.7690	0.000	1	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.5860	0.000	1	114.3860	0.053	3	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.2860	0.212	2	114.3860	0.053	3	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.8010	0.171	2	114.8429	0.818	15	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.9880	0.000	1	114.8429	0.818	15	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	115.1157	1.175	6	114.8429	0.818	15	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.8250	0.000	1	114.8429	0.818	15	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.9068	0.680	5	114.8429	0.818	15	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.8240	0.000	1	114.9400	0.067	3	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.9980	0.337	2	114.9400	0.067	3	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	114.4277	0.106	3	114.4277	0.011	3	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.8428	0.894	6	113.8428	0.798	6	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(H)3	114.8950	0.000	1	114.8950	0.000	1	114.6133	0.711	32	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	115.0515	0.284	4	115.1535	0.077	6	115.1535	0.077	6	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6]2H)(H)3	115.3575	0.142	2	115.1535	0.077	6	115.1535	0.077	6	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(H)3	113.5190	0.354	2	113.5190	0.125	2	114.1766	0.621	7	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	115.2160	0.000	1	115.2160	0.000	1	114.1766	0.621	7	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)3	114.2455	0.738	4	114.2455	0.545	4	114.1766	0.621	7	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2H)(H)2(O)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(H)2(O)	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.8289	0.884	65	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	110.5210	0.000	1	110.5210	0.000	1	112.1878	2.414	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	112.1145	2.273	2	112.1145	5.168	2	112.1878	2.414	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]H)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CN)(H)2	113.0945	0.237	2	113.0945	0.056	2	112.1878	2.414	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	112.3930	0.000	1	110.6057	4.189	3	111.1242	4.539	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	111.0510	0.000	1	110.6057	4.189	3	111.1242	4.539	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]H)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OC)(H)2	108.3730	0.000	1	110.6057	4.189	3	111.1242	4.539	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	113.8720	0.000	1	113.8720	0.000	1	111.1242	4.539	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]H)(OH)(H)2	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H){1|O<2>,2|C<4>,8|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(OH)(H)2	109.9320	0.000	1	109.9320	0.000	1	111.1242	4.539	5	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2H)(OH)(H)2	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	111.3240	0.000	1	111.3240	0.000	1	112.8367	5.698	4	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(OH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OH)(H)2	110.5560	0.000	1	110.5560	0.000	1	112.8367	5.698	4	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2	C(C[6]C[6]2H)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OC)(H)2	115.8310	0.000	1	115.8310	0.000	1	112.8367	5.698	4	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:2:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CC)2(CHHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]2H)(OSi)(H)2	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(OSi)(H)2	113.6360	0.000	1	113.6360	0.000	1	112.8367	5.698	4	112.3712	5.836	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6]C[3,6]C[6]H)(COO)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	C(C[6]C[3,6]C[6]H)(COO)(H)2	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	114.0680	0.000	1	113.9890	0.015	3	113.9890	0.015	3	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[5,6]C[6]H)(COO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(COO)(H)2	113.9495	0.141	2	113.9890	0.015	3	113.9890	0.015	3	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	109.8410	0.000	1	110.1415	0.181	2	110.1415	0.181	2	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	110.4420	0.000	1	110.1415	0.181	2	110.1415	0.181	2	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	112.8050	0.000	1	112.9580	0.018	3	113.2195	0.285	4	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	113.0345	0.009	2	112.9580	0.018	3	113.2195	0.285	4	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(H)2	114.0040	0.000	1	114.0040	0.000	1	113.2195	0.285	4	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(CCH)(H)2	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	115.6237	0.723	3	115.6237	0.523	3	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.7920	0.587	3	112.7920	0.345	3	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	117.8060	0.000	1	117.8060	0.000	1	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	113.0473	0.132	3	113.0473	0.017	3	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.3580	0.000	1	112.3580	0.000	1	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	113.4820	0.000	2	114.3120	2.067	3	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	115.9720	0.000	1	114.3120	2.067	3	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	114.8053	0.522	3	115.4534	1.780	7	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	116.9630	0.765	2	115.4534	1.780	7	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	114.9160	1.776	2	115.4534	1.780	7	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.4210	0.000	1	113.0265	0.733	2	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2H)(CCH)(H)2	113.6320	0.000	1	113.0265	0.733	2	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|I<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	112.6130	0.000	1	112.6130	0.000	1	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CC[6a]O)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(H)2	114.1160	0.000	1	114.1160	0.000	1	114.3378	2.732	25	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CNO)(H)2	109.3160	0.000	1	109.3160	0.000	1	113.8479	5.533	7	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2H)(CC[5a]O)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2H)(CC[5a]O)(H)2	112.7050	0.000	1	112.7050	0.000	1	113.8479	5.533	7	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	115.7600	0.000	1	115.7600	0.000	1	113.8479	5.533	7	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	113.3700	0.000	1	113.3700	0.000	1	113.8479	5.533	7	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)2	C(C[6]C[6]2H)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCH)(H)2	116.1630	0.000	1	116.1630	0.000	1	113.8479	5.533	7	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(COO)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(COO)(H)2	114.8105	0.507	2	114.8105	0.257	2	113.8479	5.533	7	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]CC)2(CHHN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2H)(NOO)(H)2	C[6](C[6]C[6]CC)2(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(NOO)(H)2	113.4680	0.000	1	113.4680	0.000	1	113.4680	0.000	1	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2H)(CNO)(H)2	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<3>,5|C<4>,5|H<1>}	C(C[6]C[6]2H)(CNO)(H)2	111.9470	0.000	1	111.9470	0.000	1	111.9470	0.000	1	113.8836	3.266	45	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(OC)(H)	115.5565	1.416	2	115.5565	2.006	2	115.2880	0.802	4	115.2880	0.802	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	114.7820	0.000	1	115.0195	0.113	2	115.2880	0.802	4	115.2880	0.802	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]H)(COO)(OH)(H)	115.2570	0.000	1	115.0195	0.113	2	115.2880	0.802	4	115.2880	0.802	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	114.2730	0.288	2	114.2730	0.083	2	113.8876	1.220	5	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	113.4730	0.000	1	113.4730	0.000	1	113.8876	1.220	5	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	112.2490	0.000	1	112.2490	0.000	1	113.8876	1.220	5	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	115.1700	0.000	1	115.1700	0.000	1	113.8876	1.220	5	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H)	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4]C[6]C)(CCHH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	112.7550	2.093	2	112.7550	4.381	2	113.3192	3.178	8	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	112.4450	0.000	1	112.4450	0.000	1	113.3192	3.178	8	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	113.7198	1.979	5	113.7198	3.915	5	113.3192	3.178	8	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)2(H)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2H)2(H)2	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	117.9633	1.346	3	117.9633	1.810	3	117.9633	1.810	3	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[6,6]C[6]O[6])(C[6]C[6]2H)(H)2	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(H)2	112.5470	0.000	1	112.5470	0.000	1	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CC[6]HH)(H)2	110.6440	0.000	1	110.6440	0.000	1	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C[6](C[6]C[6]CH)2(CH3)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.9900	0.000	1	113.9900	0.000	1	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	115.2510	0.000	1	115.2510	0.000	1	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	112.0460	0.000	1	112.0460	0.000	1	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2H)(CCHH)(H)2	113.1270	0.000	1	113.1270	0.000	1	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0490	0.000	1	113.0490	0.000	1	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(H)2	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CCHH)(H)2	113.0355	0.445	2	113.0355	0.198	2	112.9694	1.615	9	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6,6]O)(C[6]C[6]2H)(H)2	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	113.6926	4.651	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[5]-4:O-2:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	113.4813	1.674	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	114.2720	0.000	1	114.2280	0.004	2	114.2280	0.004	2	113.4813	1.674	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	114.1840	0.000	1	114.2280	0.004	2	114.2280	0.004	2	113.4813	1.674	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2H)(CCHH)(CH3)(H)	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6]2H)(CH3)2(OC)	119.3975	1.438	2	119.3975	2.067	2	120.0467	2.298	3	119.6817	2.064	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2H)(CH3)2(OC)	121.3450	0.000	1	121.3450	0.000	1	120.0467	2.298	3	119.6817	2.064	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:1:	4:4:4:4:	4:4:4:2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H)	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2H)(CH3)2(OC)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2H)(CH3)2(OC)	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	119.6817	2.064	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	2:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]2N)(H)3	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	2:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2O)(COO)(H)2	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:3:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(C[6]C[6]2O)(H)3	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C(C[6]C[6,6]C[6]O)(H)3	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	109.4330	0.000	1	109.4330	0.000	1	109.5735	0.039	2	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	109.7140	0.000	1	109.7140	0.000	1	109.5735	0.039	2	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2O)(H)3	109.4937	0.814	3	109.5295	0.273	6	109.7250	0.495	7	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	109.4330	0.000	1	109.5295	0.273	6	109.7250	0.495	7	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	109.6315	0.070	2	109.5295	0.273	6	109.7250	0.495	7	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.8980	0.000	1	110.8980	0.000	1	109.7250	0.495	7	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	110.3183	0.375	4	110.3183	0.141	4	110.6718	0.731	5	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6]2O)(H)3	112.0860	0.000	1	112.0860	0.000	1	110.6718	0.731	5	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2{1|S<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(F)3	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	110.0629	0.633	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(CC)(H)2	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	111.5585	0.225	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(CC)(H)2	111.2230	0.000	1	111.2230	0.000	1	111.2230	0.000	1	111.5585	0.225	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:3:1:1:	C[3x6]-4:C[6]-4:C-4:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[3x6]C[6,6]3)(C[6]C[6,6a]HH)(CC[6a]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2{1|H<1>,3|C<3>,3|C<4>}	C(C[6]C[3x6]C[6]O[6])(C[6a]C[6a]2)(H)2	111.0780	0.000	1	111.0780	0.000	1	111.0780	0.000	1	111.0780	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CHHO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(CHHO)(H)2	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:N-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCCH)(NN){3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.4880	0.109	4	110.4880	0.012	4	110.6310	0.573	7	110.8815	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	110.8217	1.267	3	110.8217	1.606	3	110.6310	0.573	7	110.8815	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	110.8815	0.993	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2N)(H)3	111.2650	0.000	1	111.2650	0.000	1	111.4405	0.062	2	111.0812	0.844	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CH3)(NN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2N)(H)3	111.6160	0.000	1	111.6160	0.000	1	111.4405	0.062	2	111.0812	0.844	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	N[4,6]-3:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CN)(COO)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CN)(COO)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	111.7620	0.306	3	111.7620	0.094	3	111.7620	0.094	3	111.0812	0.844	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2O)(H)3	110.1610	0.857	3	110.1610	0.735	3	110.1610	0.735	3	111.0812	0.844	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2C)(H)3	115.5530	0.000	1	115.5530	0.000	1	115.5530	0.000	1	111.1312	4.929	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	111.1312	4.929	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C(C[6]C[6]2O)(H)3	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	111.1312	4.929	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(CCCH)(H){3|H<1>,4|C<4>}	C(C[6]C[6]2O)(H)3	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	111.1312	4.929	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2O)(H)3	109.6755	0.117	2	109.6755	0.014	2	109.6755	0.014	2	111.1312	4.929	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(OH)(H)2	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(COO)(H)2	111.4690	0.000	1	111.4690	0.000	1	111.4690	0.000	1	111.4690	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	112.1330	0.000	1	112.1330	0.000	1	112.0030	0.034	2	112.1810	0.112	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]CO)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	111.8730	0.000	1	111.8730	0.000	1	112.0030	0.034	2	112.1810	0.112	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.1810	0.112	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2N)(H)3	110.1180	0.000	1	110.1180	0.000	1	110.1180	0.000	1	109.7255	0.308	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(H)3	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	109.7255	0.308	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	C(C[6]C[6]2O)(NOO)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(NOO)(H)2	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:1:1:	4:3:2:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(COO)(OH)(H)	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	C[6](C[6]C[6]CO)(O[6]C[5,6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	112.5413	0.582	3	112.5413	0.339	3	112.0882	0.735	5	112.0882	0.735	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.0090	0.000	1	112.0090	0.000	1	112.0882	0.735	5	112.0882	0.735	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	C[6](C[6]C[6]CO)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	110.8080	0.000	1	110.8080	0.000	1	112.0882	0.735	5	112.0882	0.735	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:2:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H)	C(C[6]C[6]2O)(CH3)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(O[6]C[6])(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(CH3)(OC)(H)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	110.4570	0.000	1	110.4570	0.000	1	110.4570	0.000	1	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.8710	0.000	1	108.8710	0.000	1	110.1386	0.545	5	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.4555	0.240	4	110.4555	0.058	4	110.1386	0.545	5	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(F)3	109.2020	0.000	1	109.2020	0.000	1	109.5452	0.323	5	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2O)(F)3	109.2260	0.000	1	109.2260	0.000	1	109.5452	0.323	5	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(F)3	109.4120	0.000	1	109.7660	0.464	3	109.5452	0.323	5	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2O)(F)3	110.5510	0.000	1	109.7660	0.464	3	109.5452	0.323	5	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2O)(F)3	109.3350	0.000	1	109.7660	0.464	3	109.5452	0.323	5	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.2780	0.000	1	110.2780	0.000	1	110.5384	0.879	11	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	109.8280	0.704	2	109.8280	0.496	2	110.5384	0.879	11	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.6200	0.411	3	110.1412	1.030	4	110.5384	0.879	11	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	108.7050	0.000	1	110.1412	1.030	4	110.5384	0.879	11	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2O)(H)3	111.4040	0.000	1	111.4040	0.000	1	110.5384	0.879	11	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.3225	0.903	2	111.3225	0.815	2	110.5384	0.879	11	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.3740	0.000	1	111.3740	0.000	1	110.5384	0.879	11	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	110.1899	0.734	23	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2	C(C[6]C[5,6]C[6]O)(OH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]O)(OH)(H)2	112.3040	0.000	1	112.3040	0.000	1	112.3040	0.000	1	111.8847	4.064	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	111.8847	4.064	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	C(C[6]C[6]2O)(CC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]2O)(CC)(H)2	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	111.8847	4.064	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	C(C[6]C[6]2O)(CCH)(H)2	112.4590	0.000	1	112.4590	0.000	1	112.4590	0.000	1	111.5065	1.815	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	111.5065	1.815	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	109.2455	5.311	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	109.2455	5.311	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	111.1904	1.951	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.8910	0.000	1	110.7515	0.039	2	110.7756	2.152	5	111.1904	1.951	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.6120	0.000	1	110.7515	0.039	2	110.7756	2.152	5	111.1904	1.951	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	108.5290	0.000	1	108.5290	0.000	1	110.7756	2.152	5	111.1904	1.951	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.5890	0.000	1	112.5890	0.000	1	110.7756	2.152	5	111.1904	1.951	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	111.2570	0.000	1	111.2570	0.000	1	110.7756	2.152	5	111.1904	1.951	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(SC[6a])(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	112.4390	0.000	1	112.4390	0.000	1	112.4390	0.000	1	111.1904	1.951	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)2(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	113.3590	1.233	2	113.3590	1.521	2	113.3590	1.521	2	113.3590	1.521	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:Cl-1:Cl-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H)	C(C[6]C[6,6]C[6]O)(Cl)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(Cl)2(H)	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H)	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(COO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(COO)(H)2	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	113.8900	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.3790	0.000	1	111.3790	0.000	1	111.6539	1.128	8	111.6539	1.128	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[5a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	109.8970	0.000	1	109.8970	0.000	1	111.6539	1.128	8	111.6539	1.128	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CC[6a]CH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.6380	0.000	1	110.6380	0.000	1	111.6539	1.128	8	111.6539	1.128	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.9360	0.000	1	112.6500	0.164	2	111.6539	1.128	8	111.6539	1.128	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.3640	0.000	1	112.6500	0.164	2	111.6539	1.128	8	111.6539	1.128	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCCH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.5615	0.030	2	111.5615	0.001	2	111.6539	1.128	8	111.6539	1.128	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]O)(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.8940	0.000	1	112.8940	0.000	1	111.6539	1.128	8	111.6539	1.128	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H)	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CCHH)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:4:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	111.8893	0.530	7	112.1023	0.316	10	112.1023	0.316	10	112.1023	0.316	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:4:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	112.5890	0.317	2	112.1023	0.316	10	112.1023	0.316	10	112.1023	0.316	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:3:4:4:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	112.6200	0.000	1	112.1023	0.316	10	112.1023	0.316	10	112.1023	0.316	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	112.4840	0.000	1	112.4840	0.000	1	112.7507	0.054	3	111.7874	4.101	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	112.9150	0.000	1	112.9150	0.000	1	112.7507	0.054	3	111.7874	4.101	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	112.8530	0.000	1	112.8530	0.000	1	112.7507	0.054	3	111.7874	4.101	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	108.1820	0.000	1	108.1820	0.000	1	110.3425	9.336	2	111.7874	4.101	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	112.5030	0.000	1	112.5030	0.000	1	110.3425	9.336	2	111.7874	4.101	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-2:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	109.9170	0.041	2	109.9170	0.002	2	109.9170	0.002	2	109.9170	0.002	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	111.6450	0.341	2	111.6450	0.116	2	111.6450	0.116	2	111.0179	3.427	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	112.6540	0.000	1	112.6540	0.000	1	110.8088	4.565	6	111.0179	3.427	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	114.1100	0.000	1	114.1100	0.000	1	110.8088	4.565	6	111.0179	3.427	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CNO)(H)	109.5222	0.796	4	109.5222	0.634	4	110.8088	4.565	6	111.0179	3.427	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	112.4690	0.000	1	112.4690	0.000	1	111.8592	3.121	35	111.8592	3.121	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	111.8523	1.830	30	111.8523	3.347	30	111.8592	3.121	35	111.8592	3.121	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	111.7580	1.694	4	111.7580	2.871	4	111.8592	3.121	35	111.8592	3.121	35	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]O)(H)3	111.2470	0.000	1	111.2470	0.000	1	111.6080	0.261	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	111.9690	0.000	1	111.9690	0.000	1	111.6080	0.261	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,5,6]C[6]O)(H)3	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[5,5,6]C[6]O)(H)3	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C(C[6]C[5,6,6]C[6]O)(H)3	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6,6]C[6]O)(H)3	110.2810	0.284	3	110.2810	0.081	3	110.6420	0.575	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	C(C[6]C[5,6,6]C[6]O)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6,6]C[6]O)(H)3	111.7250	0.000	1	111.7250	0.000	1	110.6420	0.575	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]O)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[6]O)(H)3	111.0990	0.000	1	111.0990	0.000	1	112.0160	0.407	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[5,6,6]C[6]O)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[6]O)(H)3	112.3217	0.224	3	112.3217	0.050	3	112.0160	0.407	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2{1|C<3>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	109.8530	0.194	2	109.8530	0.038	2	109.8530	0.038	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	112.4050	0.112	2	112.1613	0.184	3	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	111.6740	0.000	1	112.1613	0.184	3	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	111.9780	0.000	1	111.9780	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	112.5790	0.000	1	112.5790	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OC){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	111.7080	0.000	1	111.7080	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	110.5170	0.000	1	110.5170	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	112.3040	0.113	3	112.3040	0.013	3	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	110.9190	0.000	1	110.9190	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CH3)(OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	111.1540	0.000	1	111.1540	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	110.8890	0.000	1	110.8890	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	109.9800	0.000	1	109.9800	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2{1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	110.4670	0.000	1	110.4670	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2{1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	111.0080	0.000	1	111.0080	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	112.2440	0.000	1	112.2440	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	110.8205	0.198	6	110.8205	0.039	6	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]O)(H)3	109.8170	0.000	1	109.8170	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	111.8300	0.000	1	111.8300	0.000	1	111.3364	0.679	25	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NC){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]N)(H)3	111.7760	0.285	3	111.7760	0.081	3	111.7673	0.055	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(NC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	111.7410	0.000	1	111.7410	0.000	1	111.7673	0.055	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,6|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	106.5570	0.055	2	106.5570	0.003	2	106.5570	0.003	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	111.2873	0.553	4	111.2873	0.306	4	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	109.6040	0.759	2	109.6040	0.577	2	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.8110	0.000	1	110.8110	0.000	1	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	110.7670	0.000	1	110.7517	0.660	3	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.7440	1.148	2	110.7517	0.660	3	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	111.3570	0.000	1	111.3570	0.000	1	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2{1|H<1>,4|C<3>}	C(C[6]C[6,6]C[6]O)(H)3	114.4750	0.000	1	114.4750	0.000	1	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.3110	0.000	1	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.7480	0.000	1	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	112.3620	0.000	1	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.6963	1.102	3	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	110.0100	0.000	1	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	109.5940	0.000	1	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.8330	0.000	1	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.9853	0.256	4	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.8340	0.000	1	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	111.6437	0.520	6	111.3792	0.789	20	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	109.6230	0.000	1	111.4215	1.477	4	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	112.0210	0.243	3	111.4215	1.477	4	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]O)(H)3	110.5410	0.000	1	110.5410	0.000	1	111.2721	1.109	37	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.0960	0.000	1	110.3650	3.221	2	110.7080	0.756	9	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.6340	0.000	1	110.3650	3.221	2	110.7080	0.756	9	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.9000	0.000	1	109.9000	0.000	1	110.7080	0.756	9	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9600	0.000	1	110.9792	0.389	5	110.7080	0.756	9	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9840	0.720	4	110.9792	0.389	5	110.7080	0.756	9	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.8460	0.000	1	110.8460	0.000	1	110.7080	0.756	9	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2{2|H<1>,4|C<4>}	C(C[6]C[6]2N)(H)3	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)(NN){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]2N)(H)3	110.9680	0.000	1	110.9680	0.000	1	110.7657	1.431	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CH3)(NN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2N)(H)3	112.3390	0.000	1	112.3390	0.000	1	110.7657	1.431	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NC){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	110.1960	0.000	1	110.1960	0.000	1	110.7657	1.431	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NC){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	109.5600	0.000	1	109.5600	0.000	1	110.7657	1.431	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN)	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]N[4,6]CH)(C[6]S[6]HH)(CH3)(NN){1|C<3>,1|C<4>,2|O<1>}	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	109.5243	0.691	3	109.5243	0.478	3	109.5243	0.478	3	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2{2|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	113.4860	0.024	2	113.4860	0.001	2	113.4860	0.001	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2O)(H)3	110.6350	0.590	2	110.6350	0.348	2	110.2575	0.587	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(C[6]C[6]2O)(H)3	109.2310	0.000	1	109.2310	0.000	1	110.2575	0.587	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.5290	0.000	1	110.5290	0.000	1	110.2575	0.587	4	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.4640	0.605	6	112.4640	0.366	6	112.4640	0.366	6	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.7870	0.000	1	110.7870	0.000	1	111.2831	0.333	17	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.3860	0.000	1	111.6120	0.225	10	111.2831	0.333	17	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	111.6371	0.496	9	111.6120	0.225	10	111.2831	0.333	17	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.9850	0.191	2	110.7233	0.224	3	111.2831	0.333	17	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.2000	0.000	1	110.7233	0.224	3	111.2831	0.333	17	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]CO)(H)2{2|C<4>,2|N<3>,6|H<1>}	C(C[6]C[6]2O)(H)3	111.2490	0.000	1	111.2490	0.000	1	111.2831	0.333	17	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(OH)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(OH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.7435	0.039	2	110.7435	0.002	2	111.2831	0.333	17	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(Br)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	113.0330	0.000	1	113.0330	0.000	1	112.8423	0.029	3	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.7470	0.054	2	112.7470	0.003	2	112.8423	0.029	3	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]FF)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]FF)2(CF3)(OH){1|C<4>,4|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C(C[6]C[6]2O)(F)3	111.1836	0.390	5	111.1836	0.152	5	111.1836	0.152	5	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6]HH)2(CCl3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	C(C[6]C[6]2O)(Cl)3	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(Cl)3	110.2950	0.000	1	110.2950	0.000	1	110.1240	0.058	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](C[6]C[6]HH)2(CCl3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C(C[6]C[6]2O)(Cl)3	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(Cl)3	109.9530	0.000	1	109.9530	0.000	1	110.1240	0.058	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(Cl)(H)2	113.2460	0.000	1	113.2460	0.000	1	113.4640	0.095	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(Cl)(H)2	113.6820	0.000	1	113.6820	0.000	1	113.4640	0.095	2	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(F)3	109.6040	0.000	1	109.6040	0.000	1	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(F)3	108.5570	0.000	1	108.5570	0.000	1	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OC){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(F)3	111.4040	0.000	1	111.4040	0.000	1	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(F)3	108.2710	0.000	1	109.6693	1.484	3	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(F)3	110.3685	0.185	2	109.6693	1.484	3	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(F)3	109.5820	0.000	1	109.5820	0.000	1	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(F)3	109.2800	0.000	1	108.7903	2.209	4	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(F)3	108.6270	1.776	3	108.7903	2.209	4	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(F)3	110.7000	0.000	1	109.7655	0.523	4	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(F)3	109.4540	0.450	3	109.7655	0.523	4	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CF3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6]2O)(F)3	108.6550	0.000	1	108.6550	0.000	1	109.4396	1.249	16	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.1205	0.115	2	112.1205	0.013	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	109.6870	0.000	1	109.6870	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.5770	0.000	1	110.5770	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.0740	0.000	1	111.0740	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.4440	0.000	1	112.4440	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	112.3290	0.000	1	111.9383	0.386	3	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	111.7430	0.737	2	111.9383	0.386	3	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.9225	0.182	2	110.6756	0.546	14	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(H)3	111.1510	0.000	1	110.6756	0.546	14	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	110.5875	0.814	11	110.6756	0.546	14	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	109.8730	0.000	1	109.8730	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.2210	0.381	6	111.2210	0.145	6	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	111.5888	0.584	9	111.5888	0.341	9	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	109.9833	0.562	3	109.9833	0.316	3	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.9860	0.049	2	112.1107	0.048	3	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	112.3600	0.000	1	112.1107	0.048	3	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{4|C<3>}	C(C[6]C[6]2O)(H)3	112.7860	0.000	1	112.7860	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.1520	0.000	1	111.1520	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.2470	0.047	2	110.2470	0.002	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.0905	0.787	2	110.7018	0.538	5	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.2570	0.000	1	110.7018	0.538	5	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.3920	0.000	1	110.7018	0.538	5	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	110.6790	0.000	1	110.7018	0.538	5	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.1450	0.000	1	110.1450	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	109.3375	0.284	2	109.3375	0.080	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	109.6974	0.999	9	110.1627	1.140	17	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.6260	0.000	1	110.1627	1.140	17	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2O)(H)3	110.2540	0.252	2	110.1627	1.140	17	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	108.9700	0.000	1	110.1627	1.140	17	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.1693	0.553	3	110.1627	1.140	17	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.8770	0.000	1	110.1627	1.140	17	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	110.1290	0.000	1	110.1290	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2O)(H)3	111.7230	1.000	2	111.0992	1.056	4	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2O)(H)3	110.4755	0.783	2	111.0992	1.056	4	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2O)(H)3	110.2177	0.625	3	110.2177	0.391	3	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2O)(H)3	109.7770	0.000	1	109.6060	0.058	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	109.4350	0.000	1	109.6060	0.058	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2O)(H)3	111.7151	0.589	11	111.7151	0.347	11	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	110.0713	0.768	3	110.0713	0.590	3	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2O)(H)3	110.8256	1.251	5	110.8256	1.564	5	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2O)(H)3	112.2295	0.360	2	112.1187	0.281	7	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.3803	0.623	3	112.1187	0.281	7	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.6155	0.207	2	112.1187	0.281	7	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	112.8500	0.000	1	111.9850	1.496	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	111.1200	0.000	1	111.9850	1.496	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.0778	0.583	6	111.1584	0.423	8	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.4000	1.054	2	111.1584	0.423	8	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,1|S<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	108.4050	0.000	1	108.4050	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|S<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.1550	0.000	1	112.1550	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2O)(H)3	112.4240	0.000	1	112.4240	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	111.8035	0.538	2	111.8035	0.290	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	109.5280	0.000	1	109.5280	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.6450	0.000	1	110.6450	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.0890	0.000	1	111.6485	0.579	8	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.1205	0.736	4	111.6485	0.579	8	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.2057	0.310	3	111.6485	0.579	8	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.7500	0.000	1	111.7500	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.0460	0.000	1	112.0460	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.4170	0.000	1	111.1930	0.100	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.9690	0.000	1	111.1930	0.100	2	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	109.8815	0.552	2	110.3016	1.128	5	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.5817	1.345	3	110.3016	1.128	5	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(H)3	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.4880	0.000	1	112.4880	0.000	1	111.0097	1.089	145	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:S-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2S)(H)3	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	110.9991	1.414	303	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2	C(C[6]C[5,6]C[6]O)(OH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(OH)(H)2	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(OH)(H)2	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2O)(OH)(H)2	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CC)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CC)(H)2	110.3610	1.088	4	110.3610	1.183	4	110.3610	1.183	4	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(NC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(NC)(H)2	110.5805	1.699	4	110.5805	2.887	4	110.5805	2.887	4	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(OH)(H)2	109.0210	0.000	1	109.0210	0.000	1	110.2309	4.448	7	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2O)(OH)(H)2	109.6710	0.000	1	109.6710	0.000	1	110.2309	4.448	7	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(OC)(H)2	112.3810	0.000	1	112.3810	0.000	1	110.2309	4.448	7	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(OH)	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3]C[6]C)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2O)(OC)(H)2	108.7320	0.000	1	108.7320	0.000	1	110.2309	4.448	7	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(OC)(H)2	111.1920	0.000	1	111.1920	0.000	1	110.2309	4.448	7	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)(ON)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)(ON){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(OC)(H)2	110.3095	4.136	2	110.3095	17.105	2	110.2309	4.448	7	110.2288	2.475	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(COO)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6,6]C[6]O)(COO)(H)2	110.5470	0.000	1	111.7180	2.742	2	111.7180	2.742	2	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(COO)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6,6]C[6]O)(COO)(H)2	112.8890	0.000	1	111.7180	2.742	2	111.7180	2.742	2	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{5|C<4>}	C(C[6]C[6]2O)(CCH)(H)2	109.1800	0.000	1	109.1800	0.000	1	111.1487	4.560	7	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2O)(CCC)(H)2	111.5370	0.000	1	111.5370	0.000	1	111.1487	4.560	7	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	114.5360	0.000	1	114.5360	0.000	1	111.1487	4.560	7	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CCN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(CCN)(H)2	110.1105	2.928	2	110.1105	8.574	2	111.1487	4.560	7	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(COO)(H)2	111.2835	1.044	2	111.2835	1.091	2	111.1487	4.560	7	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(NCH)(H)2	113.1590	0.000	1	113.1590	0.000	1	110.4656	6.865	5	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(NCH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(NCH)(H)2	109.7922	2.476	4	109.7922	6.130	4	110.4656	6.865	5	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	114.6230	0.655	2	114.6230	0.429	2	114.6230	0.429	2	111.5022	5.299	17	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:C-4:H-1:	C[6](C[6]C[6]HH)2(CN[5]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	110.2943	0.645	6	110.2943	0.416	6	110.2943	0.416	6	110.2943	0.416	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	114.3600	0.000	2	114.3600	0.000	2	114.3600	0.000	2	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	112.9415	0.012	2	112.9415	0.000	2	112.9415	0.000	2	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	109.6420	0.000	1	112.4110	6.238	3	112.4110	6.238	3	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CCHH)(ON)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(ON){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	113.7955	0.988	2	112.4110	6.238	3	112.4110	6.238	3	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	109.0020	0.000	1	109.0020	0.000	1	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CHHO)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2O)(CHHO)(H)2	109.4850	0.000	1	109.4850	0.000	1	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	111.1310	0.000	1	111.1310	0.000	1	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	111.5640	0.000	1	111.5640	0.000	1	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	110.6990	0.000	1	110.6990	0.000	1	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	111.6670	0.809	2	111.2417	1.120	6	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	110.9215	1.640	2	111.2417	1.120	6	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	111.1365	1.290	2	111.2417	1.120	6	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(CH3)(H)2	111.4183	1.695	4	111.4183	2.871	4	111.0003	1.570	15	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2O)2(H)2	110.1130	0.000	1	110.1130	0.000	1	108.1720	7.535	2	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)2(H)2	106.2310	0.000	1	106.2310	0.000	1	108.1720	7.535	2	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:Cl-1:H-1:	C[6](C[6]C[6]HH)2(CClHS)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	C[6](C[6]C[6]HH)2(CClHS)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(SC[6a]OO)(Cl)(H)	112.1953	2.374	4	112.1953	5.634	4	112.1953	5.634	4	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(SNOO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2O)(SNOO)(H)2	111.4995	0.370	2	111.4995	0.137	2	111.4995	0.137	2	111.3493	4.207	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	110.8481	1.246	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	109.7020	0.000	1	109.7020	0.000	1	109.7020	0.000	1	110.8481	1.246	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CCHO)(OC)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2O)(CCHO)(OC)(H)	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	110.8481	1.246	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(CC[6]HO)(OSi){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2O)(OC)(H)	110.8810	0.000	1	110.8810	0.000	1	111.0446	1.254	10	110.8481	1.246	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	109.4060	0.028	2	111.0628	1.408	9	111.0446	1.254	10	110.8481	1.246	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	111.5361	0.837	7	111.0628	1.408	9	111.0446	1.254	10	110.8481	1.246	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2	C(C[6]C[3,6]C[6]O)(CH3)2(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>}	C(C[6]C[3,6]C[6]O)(CH3)2(H)	114.6780	1.211	2	114.6780	1.465	2	114.6780	1.465	2	111.6341	3.109	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	C(C[6]C[5,6]C[6]O)(CH3)2(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]O)(CH3)2(H)	111.0445	0.873	2	111.0445	0.763	2	111.0445	0.763	2	111.6341	3.109	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]2O)(CH3)2(H)	109.0415	0.402	2	109.0415	0.162	2	109.0415	0.162	2	111.6341	3.109	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2O)(CH3)2(H)	111.7715	0.151	2	111.7715	0.023	2	111.4038	0.159	5	111.6341	3.109	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	111.3240	0.000	1	111.3240	0.000	1	111.4038	0.159	5	111.6341	3.109	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2O)(CH3)2(H)	111.0760	0.346	2	111.0760	0.120	2	111.4038	0.159	5	111.6341	3.109	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:P-4:H-1:	C[6](C[6]C[6]HH)2(CCHP)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	C[6](C[6]C[6]HH)2(CCHP)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	112.3480	0.577	2	112.3480	0.333	2	112.3480	0.333	2	111.6341	3.109	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	111.2740	1.874	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CH3)2(OH)	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	111.2740	1.874	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-2:	C[6](C[6]C[6]HH)2(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	111.4665	1.371	2	111.4665	1.880	2	111.4665	1.880	2	111.2740	1.874	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]2O)(CH3)3	112.4320	0.000	1	112.4320	0.000	1	112.3777	0.526	3	112.3777	0.526	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)2(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6]C[6]2O)(CH3)3	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)3	112.3505	1.023	2	112.3505	1.047	2	112.3777	0.526	3	112.3777	0.526	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(OO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	110.8170	0.000	1	110.8170	0.000	1	111.1234	0.185	5	111.1234	0.185	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	111.2000	0.456	4	111.2000	0.208	4	111.1234	0.185	5	111.1234	0.185	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HN)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(NCH)(H)	111.0550	0.399	2	111.0550	0.159	2	111.0550	0.159	2	111.0997	0.086	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.0997	0.086	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]O)(H)3	112.8450	0.000	1	112.8450	0.000	1	112.8450	0.000	1	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6,6]C[6]O)(H)3	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6,6]C[6]O)(H)3	110.2533	1.376	3	110.2533	1.892	3	110.2533	1.892	3	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(H)3	111.8030	0.000	1	111.8030	0.000	1	111.2265	0.665	2	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(H)3	110.6500	0.000	1	110.6500	0.000	1	111.2265	0.665	2	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]O)(H)3	112.6620	0.000	1	112.6620	0.000	1	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	108.9973	0.435	3	108.9973	0.189	3	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	114.1310	0.000	1	111.9990	9.091	2	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OC){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	109.8670	0.000	1	111.9990	9.091	2	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.2890	2.529	2	111.0910	5.127	3	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	112.6950	0.000	1	111.0910	5.127	3	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	110.5220	0.000	1	109.5617	0.968	3	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	109.0815	0.743	2	109.5617	0.968	3	110.4675	3.752	12	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.3565	0.245	2	110.3565	0.060	2	110.3565	0.060	2	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.1540	0.396	2	111.1540	0.157	2	111.0760	0.229	6	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.4820	0.000	1	111.1683	0.382	3	111.0760	0.229	6	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.5115	0.240	2	111.1683	0.382	3	111.0760	0.229	6	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6]2O)(H)3	110.6430	0.000	1	110.6430	0.000	1	111.0760	0.229	6	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	C(C[6]C[6]2O)(H)3	108.5760	0.000	1	108.5760	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	111.2550	0.000	1	111.2550	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	111.1035	0.047	4	111.1035	0.002	4	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	C(C[6]C[6]2O)(H)3	109.8180	0.000	1	109.8180	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.9175	0.050	2	111.9175	0.003	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2O)(H)3	110.8680	0.000	1	111.2105	0.235	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.5530	0.000	1	111.2105	0.235	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.2200	0.000	1	111.2200	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.3760	0.440	3	111.3760	0.193	3	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.0922	0.813	5	112.0922	0.660	5	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.4155	0.136	2	111.4155	0.019	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.7897	0.869	3	112.7897	0.756	3	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	115.3840	0.335	2	115.3840	0.112	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	110.2020	1.085	2	110.2020	1.177	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)2(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.6500	0.000	1	111.6500	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	C[6](C[6]C[6]CO)2(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	114.5970	0.000	1	114.5970	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	113.3850	0.519	2	113.3850	0.269	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.6360	0.000	1	110.6360	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.8290	0.964	2	111.8290	0.930	2	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)2(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2O)(H)3	111.5480	0.000	1	111.5480	0.000	1	111.8205	2.061	37	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(H)3	111.1190	0.000	1	111.1190	0.000	1	111.1190	0.000	1	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:S-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2S)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(SP){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2S)(H)3	113.3550	0.000	1	113.3550	0.000	1	113.3550	0.000	1	111.3857	2.327	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	C(C[6]C[5,6]C[6]O)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(OC)(H)2	110.2970	0.000	1	110.2970	0.000	1	110.2970	0.000	1	110.4121	2.074	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	110.9645	1.302	2	110.9645	1.695	2	110.4265	2.368	8	110.4121	2.074	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2O)(OH)(H)2	109.0820	0.000	1	109.0820	0.000	1	110.4265	2.368	8	110.4121	2.074	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	111.0560	0.000	1	111.0560	0.000	1	110.4265	2.368	8	110.4121	2.074	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(OC)(H)2	111.0190	0.000	1	111.0190	0.000	1	110.4265	2.368	8	110.4121	2.074	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)2(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2O)(OC)(H)2	108.8190	1.211	2	108.8190	1.465	2	110.4265	2.368	8	110.4121	2.074	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2O)(OH)(H)2	112.6880	0.000	1	112.6880	0.000	1	110.4265	2.368	8	110.4121	2.074	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2O)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(NCH)(H)2	110.8350	0.000	1	110.8350	0.000	1	109.2660	4.924	2	110.6232	3.082	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(NOO)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C(C[6]C[6]2O)(NOO)(H)2	107.6970	0.000	1	107.6970	0.000	1	109.2660	4.924	2	110.6232	3.082	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	111.0770	0.206	2	111.0770	0.043	2	111.0770	0.043	2	110.6232	3.082	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H)	C(C[6]C[6]2O)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(SC[6a])(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCC)(H)2	112.4300	0.000	1	112.4300	0.000	1	112.4300	0.000	1	110.6232	3.082	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC)	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H)	C(C[6]C[6]2O)(CCHO)(OC)(H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(CCHO)(OC){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]CO)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2O)(CCHO)(OC)(H)	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	114.0325	4.231	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2O)(CH3)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(CH3)(OC)(H)	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	114.0325	4.231	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]O)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(CH3)2(H)	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	111.9350	1.267	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	111.2855	0.049	2	111.2855	0.002	2	111.2855	0.002	2	111.9350	1.267	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	C(C[6]C[6]2O)(CH3)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)3	115.3600	0.000	1	115.3600	0.000	1	115.3600	0.000	1	115.3600	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-2:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CN)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	111.1190	0.148	2	111.1190	0.022	2	111.1190	0.022	2	111.1190	0.022	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H)	C(C[6]C[5,6]C[6]O)(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[5,6]C[6]O)(H)3	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H)	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(Cl)(H)2	109.8420	0.000	1	109.8420	0.000	1	109.8420	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	115.2910	0.663	2	115.2910	0.440	2	113.4250	10.666	3	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	109.6930	0.000	1	109.6930	0.000	1	113.4250	10.666	3	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.7630	0.000	1	111.7630	0.000	1	111.8403	0.029	3	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.8790	0.223	2	111.8790	0.050	2	111.8403	0.029	3	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(Cl)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(COO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(Cl)(H)2	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(COO)(H){1|S<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2O)(F)3	111.0960	0.000	1	111.0960	0.000	1	111.0960	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	111.4960	0.000	1	111.4960	0.000	1	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	112.5827	0.326	3	112.5827	0.106	3	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	111.0580	0.000	1	111.1293	0.426	3	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	111.1650	0.919	2	111.1293	0.426	3	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2O)(H)3	110.8110	0.000	1	110.8110	0.000	1	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	111.6457	0.159	4	111.6457	0.025	4	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.5890	0.795	2	111.5890	0.632	2	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C(C[6]C[6]2O)(H)3	111.6340	0.211	2	111.6340	0.044	2	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	112.7690	0.000	1	112.7690	0.000	1	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	110.9810	0.000	1	110.9810	0.000	1	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.6120	0.000	1	111.6120	0.000	1	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	112.4550	0.000	1	112.4550	0.000	1	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.7440	0.000	1	110.7440	0.000	1	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){3|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	111.5710	0.521	3	111.4600	0.230	4	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	111.1270	0.000	1	111.4600	0.230	4	111.6349	0.416	25	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(C[6]C[6]2)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	C(C[6]C[6]2O)(F)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(F)3	116.6530	0.000	1	116.6530	0.000	1	116.6530	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.0260	0.683	2	112.0260	0.467	2	112.5918	1.337	16	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	113.5080	0.000	1	113.5080	0.000	1	112.5918	1.337	16	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(H)3	111.3100	0.000	1	111.3100	0.000	1	112.5918	1.337	16	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]2O)(H)3	111.7720	0.000	1	111.7720	0.000	1	112.5918	1.337	16	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.8024	1.237	11	112.8024	1.531	11	112.5918	1.337	16	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	112.0585	1.791	55	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6]2O)(COO)(H)2	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(COO)(H){2|H<1>,3|C<3>}	C(C[6]C[6]2O)(COO)(H)2	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H)	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[5,6]O)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	114.4660	0.000	1	114.4660	0.000	1	113.8895	0.665	2	112.5670	3.180	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H)	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	113.3130	0.000	1	113.3130	0.000	1	113.8895	0.665	2	112.5670	3.180	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H)	C(C[6]C[6]2O)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CO)(CCO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CCHH)(H)2	112.2140	0.000	1	112.2140	0.000	1	112.2140	0.000	1	112.5670	3.180	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[6a]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CC[6a]HH)(H)2	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	112.5670	3.180	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:3:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	C(C[6]C[6]2O)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(CH3)2(H)	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	112.8125	0.045	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(H)2	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	112.8125	0.045	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCH)(H)	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OC){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	111.1570	0.000	1	111.1570	0.000	1	109.5840	2.112	3	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CC[5a]HH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	108.2910	0.000	1	108.2910	0.000	1	109.5840	2.112	3	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	109.3040	0.000	1	109.3040	0.000	1	109.5840	2.112	3	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	113.9960	0.000	1	113.9960	0.000	1	112.3930	5.139	2	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.7900	0.000	1	110.7900	0.000	1	112.3930	5.139	2	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS)	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CH3)(NS){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CN)(CF3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	116.1150	0.000	1	116.1150	0.000	1	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHI)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	115.6330	0.000	1	115.6330	0.000	1	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	114.2458	2.420	6	114.2458	5.854	6	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[5]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	115.3850	0.000	1	115.3850	0.000	1	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CC[6a]HH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	116.2773	0.261	3	116.2773	0.068	3	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	114.8520	0.000	1	115.0887	0.775	3	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	116.0630	0.000	1	115.0887	0.775	3	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHHO)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2O)(H)3	114.3510	0.000	1	115.0887	0.775	3	115.1137	2.920	15	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2O)(H)3	111.1000	0.000	1	111.1000	0.000	1	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	117.2290	0.000	1	117.2290	0.000	1	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.8210	1.500	2	110.8210	2.251	2	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	115.4980	0.000	1	114.6915	1.301	2	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C(C[6]C[6]2O)(H)3	113.8850	0.000	1	114.6915	1.301	2	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CO)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	113.3410	0.000	1	113.3410	0.000	1	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	116.4420	0.000	1	116.4420	0.000	1	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	115.7700	0.000	1	115.7700	0.000	1	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	115.4790	0.000	1	115.4790	0.000	1	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	110.8347	0.352	8	110.8347	0.124	8	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.1170	0.000	1	112.6170	4.500	2	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	C(C[6]C[6]2O)(H)3	114.1170	0.000	1	112.6170	4.500	2	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	112.2115	0.179	2	112.2115	0.032	2	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	111.0810	0.000	1	111.0810	0.000	1	112.5131	4.942	23	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(H)3	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6]2O)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	113.9675	0.363	2	113.9675	0.132	2	113.3435	0.683	8	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]2B)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	113.8485	1.025	2	113.8485	1.050	2	113.3435	0.683	8	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(PC[6a]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.7790	0.588	4	112.7790	0.345	4	113.3435	0.683	8	113.2249	5.100	54	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2O)(CC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CC)(H)2	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	113.0337	0.296	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]2O)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HN)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(OC)(H)2	113.3295	0.260	2	113.3295	0.067	2	113.3295	0.067	2	113.0337	0.296	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	112.6585	0.149	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H)	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]O[6]CH)(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	112.6585	0.149	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	111.0080	0.000	1	111.0080	0.000	1	110.7596	0.642	7	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	111.2335	0.023	2	111.2335	0.001	2	110.7596	0.642	7	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	109.8270	0.071	2	110.4605	0.994	4	110.7596	0.642	7	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CO)(C[6]C[6]HO)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	111.0940	1.171	2	110.4605	0.994	4	110.7596	0.642	7	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	113.5660	0.174	2	113.5660	0.030	2	113.5660	0.030	2	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2O)2(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6]2O)2(H)2	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2O)2(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)2(H)2	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]2O)(SNOO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2O)(SNOO)(H)2	108.8880	1.401	2	108.8880	1.964	2	108.8880	1.964	2	111.4059	3.088	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)2(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	113.8765	0.049	2	113.8765	0.002	2	112.2540	3.529	4	112.2540	3.529	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CH)2(CCCH)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	110.6315	0.233	2	110.6315	0.054	2	112.2540	3.529	4	112.2540	3.529	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:1:	4:4:4:2:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H)	C(C[6]C[6]2C)(CH3)2(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CH3)2(OH)	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2O)(H)3	111.4370	0.000	1	111.4370	0.000	1	111.8290	0.307	2	111.8290	0.307	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)(OC){1|C<2>,1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6]2O)(H)3	112.2210	0.000	1	112.2210	0.000	1	111.8290	0.307	2	111.8290	0.307	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2O)(OH)(H)2	111.2080	0.000	1	111.2080	0.000	1	112.1330	1.711	2	112.1330	1.711	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:2:	4:2:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	C(C[6]C[6]2O)(OH)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2O)(OH)(H)2	113.0580	0.000	1	113.0580	0.000	1	112.1330	1.711	2	112.1330	1.711	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	111.7357	0.173	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]2O)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2O)(H)3	111.5000	0.113	2	111.5000	0.013	2	111.5000	0.013	2	111.7357	0.173	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]O)(H)3	112.4570	0.000	1	112.4570	0.000	1	112.4570	0.000	1	113.1330	0.435	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2	C(C[6]C[6,6]C[6]O)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]O)(H)3	113.1670	0.000	1	113.1670	0.000	1	113.1670	0.000	1	113.1330	0.435	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2O)(H)3	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[6]2O)(H)3	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	113.1330	0.435	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:2:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2O)(CCH)(H)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6]2O)(CCH)(H)2	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	113.1070	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	2:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO)	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO){1|S<2>,3|C<3>}	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2C)(COO)(H)2	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	2:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2N)(H)3	114.1940	0.000	1	114.1940	0.000	1	113.3290	0.308	5	113.3290	0.308	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	2:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2N)(H)3	113.0900	0.000	1	113.0900	0.000	1	113.3290	0.308	5	113.3290	0.308	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	2:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[6]2N)(H)3	113.3280	0.197	2	113.3280	0.039	2	113.3290	0.308	5	113.3290	0.308	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	2:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	O[6]-2:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CCHH)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2N)(H)3	112.7050	0.000	1	112.7050	0.000	1	113.3290	0.308	5	113.3290	0.308	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]2N)(H)3	115.2460	0.000	1	115.2460	0.000	1	115.2460	0.000	1	115.2460	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:3:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(CCHH)(COO){1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(COO)(H)2	108.1950	0.000	1	108.1950	0.000	1	108.1950	0.000	1	108.1950	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:3:4:2:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:C[6]-3:C[6]-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO){1|O<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:3:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH){4|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[5a]C[6]O)(C[6]C[6,6a]HH)(CC[6a]HH)(COO){1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	111.8170	0.000	1	111.8170	0.000	1	111.2924	0.377	5	110.6154	1.644	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	110.9160	0.904	2	110.9160	0.817	2	111.2924	0.377	5	110.6154	1.644	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	111.4065	0.329	2	111.4065	0.108	2	111.2924	0.377	5	110.6154	1.644	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	108.9230	0.578	2	108.9230	0.335	2	108.9230	0.335	2	110.6154	1.644	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.6000	0.897	2	108.6000	0.804	2	109.5642	0.997	5	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.0865	0.002	2	110.0865	0.000	2	109.5642	0.997	5	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4480	0.000	1	110.4480	0.000	1	109.5642	0.997	5	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.5890	0.000	1	110.5890	0.000	1	110.2500	0.195	3	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.4100	0.000	1	110.4100	0.000	1	110.2500	0.195	3	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]HH)(CH3)(CCO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2C)(H)3	109.7510	0.000	1	109.7510	0.000	1	110.2500	0.195	3	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{5|C<4>}	C(C[6]C[6]2C)(H)3	106.5780	0.000	1	106.5780	0.000	1	109.0900	2.936	5	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	111.2500	0.000	1	111.2500	0.000	1	109.0900	2.936	5	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4620	0.583	2	109.4620	0.339	2	109.0900	2.936	5	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	108.6980	0.000	1	108.6980	0.000	1	109.0900	2.936	5	109.5401	1.554	13	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6,6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	107.6805	1.336	2	107.6805	1.784	2	107.6805	1.784	2	110.0410	6.959	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[3x6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	110.0410	6.959	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	108.1190	0.000	1	108.1190	0.000	1	109.7055	5.034	2	110.0410	6.959	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.2920	0.000	1	111.2920	0.000	1	109.7055	5.034	2	110.0410	6.959	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	110.0410	6.959	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.0410	6.959	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	114.1035	0.040	2	114.1035	0.002	2	114.1035	0.002	2	110.0410	6.959	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:2:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(CH3)(CCO)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)(CCO)(H)	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	110.2270	19.933	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	110.2270	19.933	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	112.0060	0.000	1	112.0060	0.000	1	112.0060	0.000	1	113.2694	0.694	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	113.6360	0.000	1	113.6360	0.000	1	113.6360	0.000	1	113.2694	0.694	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C(C[6]C[6]2N)(F)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2N)(F)3	113.1560	0.430	4	113.1560	0.185	4	113.1560	0.185	4	113.2694	0.694	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2N)(H)3	114.6200	0.000	1	114.6200	0.000	1	114.6200	0.000	1	113.2694	0.694	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:2:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-4:O-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CC[6a]HH)(CC[6a]O){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	109.8480	0.614	2	109.8480	0.377	2	109.8480	0.377	2	109.8480	0.377	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.3700	0.273	2	111.3700	0.074	2	111.3700	0.074	2	110.9418	0.625	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)(CCO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	110.9418	0.625	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)(CCO){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	110.9418	0.625	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6]2N)(H)3	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	110.9418	0.625	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:4:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[4,6]C[6]C)(H)3	113.2080	0.000	1	113.2080	0.000	1	113.2080	0.000	1	112.0866	0.575	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	3:4:4:4:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	111.8063	0.493	4	111.8063	0.243	4	111.8063	0.243	4	112.0866	0.575	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO)	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2	C(C[6]C[5,5,6]C[6]C)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]O[6]HH)(CH3)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,5,6]C[6]C)(H)3	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	110.0622	1.059	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS)	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2	C(C[6]C[6,6]C[6]N)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]N)(H)3	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	110.0622	1.059	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH){1|C<4>,2|C<3>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	108.4820	0.000	1	108.4820	0.000	1	110.2804	0.657	17	110.0622	1.059	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)(CHH)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)(CHH){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3250	0.953	2	109.3250	0.909	2	110.2804	0.657	17	110.0622	1.059	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)(COO)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)(COO){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2405	1.046	2	110.5453	0.274	14	110.2804	0.657	17	110.0622	1.059	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)(COO)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)(COO){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.5961	0.453	12	110.5453	0.274	14	110.2804	0.657	17	110.0622	1.059	19	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHS)(COO)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(SC)(H)2	C[6](C[6]O[6]HH)2(CHHS)(COO){1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	C(C[6]C[6]2C)(SC)(H)2	109.7905	2.880	2	109.7905	8.295	2	109.7905	8.295	2	110.0865	2.888	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)(NCH)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	C(C[6]C[6]2N)(OC)(H)2	C[6](C[6]O[6]HH)2(CHHO)(NCH){1|C<4>}	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2N)(OC)(H)2	110.3825	0.136	2	110.3825	0.019	2	110.3825	0.019	2	110.0865	2.888	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(CCl3)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCl3)(H)2	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	112.3380	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	C(C[6]C[6]2N)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2N)(CCHH)(H)2	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:2:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(O[6]C[3x6])(CCHH)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	111.0955	4.365	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(CH3)(COO){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2{1|Br<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	111.0955	4.365	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	C(C[6]C[6]2N)(Br)(H)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2N)(Br)(H)2	113.5090	0.000	1	113.5090	0.000	1	113.5090	0.000	1	111.0955	4.365	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	111.8760	0.000	1	111.8760	0.000	1	111.8760	0.000	1	111.0955	4.365	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO)	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(CCHH)(COO){1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CCH)(H)2	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CC[6]HO)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	112.2760	2.283	2	112.2760	5.210	2	112.2760	5.210	2	112.2760	5.210	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:Br-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(CH3)(COO){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(COO)(Br){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	112.2040	0.000	1	112.2040	0.000	1	112.2040	0.000	1	112.2040	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	114.7580	0.000	1	114.7580	0.000	1	114.7580	0.000	1	114.7580	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[5a]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	110.2960	9.923	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1090	3.408	6	110.1090	11.614	6	110.1090	11.614	6	110.2960	9.923	7	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	107.6015	1.784	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CHHO)(COO){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	107.6015	1.784	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)2(CC[6a]HH)(COO){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	109.1380	2.858	4	109.1380	8.169	4	109.1380	8.169	4	109.6641	4.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:O-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(OCoH)	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(OCoH){1|S<2>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	110.0540	2.145	2	110.0540	4.603	2	110.1902	2.390	4	109.6641	4.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:O-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CC[6]HH)(ONiH)	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]HH)2(CC[6]HH)(ONiH){1|S<2>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	110.3265	1.579	2	110.3265	2.493	2	110.1902	2.390	4	109.6641	4.842	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:O-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(CC[6a]CH)(OMg2)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OMg2){1|C<4>,4|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	110.6880	2.442	2	110.6880	5.965	2	110.6880	5.965	2	110.6880	5.965	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[4,6]C[6]C)(H)3	111.4310	0.498	2	111.4310	0.248	2	111.4310	0.248	2	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.7330	0.000	1	110.7330	0.000	1	110.7330	0.000	1	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	108.5940	0.000	1	108.5940	0.000	1	108.7643	0.730	4	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	108.0480	0.000	1	108.8210	1.076	3	108.7643	0.730	4	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.2075	1.121	2	108.8210	1.076	3	108.7643	0.730	4	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	C(C[6]C[5,6]C[6]N)(H)3	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6]N)(H)3	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6820	0.000	1	108.6820	0.000	1	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4320	0.000	1	110.4320	0.000	1	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.0290	0.000	1	108.0290	0.000	1	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNN){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8110	0.000	1	109.8110	0.000	1	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9037	2.329	6	108.8333	4.555	7	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CNO){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4110	0.000	1	108.8333	4.555	7	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.2849	1.474	26	109.1629	2.552	78	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1520	0.000	1	109.1629	2.552	78	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.5519	1.315	51	109.1629	2.552	78	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.7720	0.000	1	107.8865	0.685	4	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	106.8050	0.000	1	107.8865	0.685	4	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4845	0.398	2	107.8865	0.685	4	109.0865	2.567	93	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.1610	0.185	2	110.1610	0.034	2	110.1610	0.034	2	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.5125	0.431	2	110.6006	0.114	8	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.6033	0.341	3	110.6006	0.114	8	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.6567	0.421	3	110.6006	0.114	8	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9920	0.208	2	110.9920	0.043	2	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	109.1035	0.054	2	109.1035	0.003	2	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	109.9489	0.942	15	109.8542	0.973	16	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	C(C[6]C[6]2C)(H)3	108.4330	0.000	1	109.8542	0.973	16	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(CHO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(CHO){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(C[6]C[6]2C)(H)3	110.3960	0.144	2	110.3960	0.021	2	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(CNO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(CNO){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.8185	0.780	2	108.8185	0.608	2	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(COO){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.7160	0.000	1	108.6996	0.229	21	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(COO){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C(C[6]C[6]2C)(H)3	110.0280	0.000	1	108.6996	0.229	21	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.6288	0.389	19	108.6996	0.229	21	109.5053	1.021	53	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0970	0.000	1	110.0970	0.000	1	108.7545	3.605	2	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.4120	0.000	1	107.4120	0.000	1	108.7545	3.605	2	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	107.8365	0.380	2	107.8365	0.144	2	107.8365	0.144	2	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:H-1:	C[6](C[6]C[6]HH)2(CFFH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(F)2(H)	C[6](C[6]C[6]HH)2(CFFH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(F)2(H)	109.6500	2.714	2	109.6500	7.365	2	109.6500	7.365	2	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.0420	0.000	1	109.0420	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.1730	0.000	1	111.1730	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.7070	0.000	1	111.7070	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.7700	0.000	1	108.7700	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.1000	0.665	2	109.1000	0.442	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.4200	0.202	2	109.4200	0.041	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	110.2560	0.000	1	110.2560	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	108.2275	2.343	2	108.2275	5.488	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.8585	0.743	2	109.0563	4.613	4	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	107.2540	0.542	2	109.0563	4.613	4	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.8055	2.633	2	110.5686	1.681	8	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0543	0.339	3	110.5686	1.681	8	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.2583	0.482	3	110.5686	1.681	8	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.4425	0.022	2	110.9500	0.408	4	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.4575	0.504	2	110.9500	0.408	4	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CNO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.8010	0.690	2	110.8010	0.476	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.1014	0.833	15	110.0680	0.665	16	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.5670	0.000	1	110.0680	0.665	16	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.4540	0.000	1	111.1450	0.955	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	111.8360	0.000	1	111.1450	0.955	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4100	0.000	1	109.8492	0.122	5	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.7090	0.178	4	109.8492	0.122	5	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1120	0.000	1	110.1120	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.2510	0.000	1	111.2510	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	110.3830	0.532	2	110.3830	0.283	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	113.0010	0.000	1	113.0010	0.000	1	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.8260	1.216	6	110.8260	1.480	6	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.5565	1.197	2	110.5565	1.433	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(CNO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.7510	0.457	2	109.7510	0.209	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(CNO)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(CNO){2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	112.9700	1.510	2	112.9700	2.281	2	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(COO)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)(COO){2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.5817	1.073	42	108.5817	1.152	42	109.6425	2.149	111	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(Br)(H)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2N)(Br)(H)2	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(F)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(F)3	109.5030	0.249	3	109.5030	0.062	3	109.5030	0.062	3	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]2N)(H)3	112.0460	0.000	1	112.0460	0.000	1	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2N)(H)3	110.7810	0.000	1	110.7810	0.000	1	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2N)(H)3	109.3030	0.000	1	109.3030	0.000	1	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	111.0720	0.000	1	111.0720	0.000	1	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	108.5940	0.000	1	108.5940	0.000	1	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	111.9725	0.087	2	111.9725	0.008	2	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	110.3795	0.080	2	110.3795	0.006	2	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)(NOO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2N)(H)3	113.5720	0.000	1	113.5720	0.000	1	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2N)(H)3	109.7880	0.000	1	109.7880	0.000	1	110.8964	2.046	11	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(H)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,3|H<1>}	C(C[6]C[6]2N)(H)2(O)	112.6260	0.000	1	112.6260	0.000	1	112.6260	0.000	1	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	C(C[6]C[6]2N)(H)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(H)2(O)	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	109.4899	2.216	291	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	109.0647	0.022	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(OH)(H)2	109.1930	0.000	1	109.1930	0.000	1	109.0485	0.042	2	109.0647	0.022	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(OC)(H)2	108.9040	0.000	1	108.9040	0.000	1	109.0485	0.042	2	109.0647	0.022	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]C)(COO)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	C(C[6]C[5,6]C[6]C)(COO)(H)2	111.4310	0.034	2	111.4310	0.001	2	111.4310	0.001	2	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(CC[6a]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	112.0630	0.000	1	112.0630	0.000	1	112.4253	0.311	3	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[5,6]O[5,6]O[5]O)(C[6]C[6]HH)(CC[6a]HH)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	C(C[6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)2	112.6065	0.651	2	112.6065	0.424	2	112.4253	0.311	3	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CCHH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCC)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(COO){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CCC)(H)2	106.4460	0.000	1	107.7260	3.277	2	107.7260	3.277	2	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CCHH)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCC)(H)2	C[6](C[6]C[6,6]HH)2(CCHH)(COO){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2C)(CCC)(H)2	109.0060	0.000	1	107.7260	3.277	2	107.7260	3.277	2	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(COO)(H)2	112.4060	0.122	2	112.4060	0.015	2	110.2752	4.266	6	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CNO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CNO)(H)2	109.3775	2.143	2	109.3775	4.593	2	110.2752	4.266	6	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(COO)(H)2	109.0420	1.728	2	109.0420	2.987	2	110.2752	4.266	6	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	114.1260	1.698	2	114.1260	2.885	2	111.0349	5.632	8	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2N)(COO)(H)2	110.0045	1.487	6	110.0045	2.212	6	111.0349	5.632	8	110.7390	4.714	21	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	109.3376	4.922	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	107.6640	0.499	2	107.6640	0.249	2	109.1983	4.941	15	109.3376	4.922	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	C(C[6]C[6]2C)(CH3)(H)2	111.2260	0.000	1	111.2260	0.000	1	109.1983	4.941	15	109.3376	4.922	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.3135	1.683	8	109.3135	2.833	8	109.1983	4.941	15	109.3376	4.922	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	112.9470	0.000	1	112.9470	0.000	1	109.1983	4.941	15	109.3376	4.922	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO)	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCl3)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(COO){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CCl3)(H)2	104.3940	0.000	1	104.3940	0.000	1	109.1983	4.941	15	109.3376	4.922	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CNO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCCH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCCH)(H)2	109.7860	1.532	2	109.7860	2.346	2	109.1983	4.941	15	109.3376	4.922	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	107.6830	0.000	1	107.6830	0.000	1	107.6830	0.000	1	108.4455	1.163	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)2(CC[6]HO)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	C[6](C[6]C[6]HH)2(CC[6]HO)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(C[6]C[6]2H)(OH)(H)	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	108.4455	1.163	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(CCO)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(CH3)(CCO)(H)	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(CCO){2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9925	0.651	2	111.9925	0.424	2	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7380	0.000	1	111.7380	0.000	1	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2490	0.000	2	111.2490	0.000	2	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.5105	0.285	2	112.5105	0.081	2	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.6270	0.156	3	112.6270	0.024	3	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.9890	0.000	1	109.9890	0.000	1	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.8460	0.000	1	110.4261	3.995	7	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6895	2.052	6	110.4261	3.995	7	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	106.7870	0.000	1	107.9675	2.787	2	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(CH3)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1480	0.000	1	107.9675	2.787	2	111.0015	3.378	20	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.5667	0.178	3	111.5667	0.032	3	111.0790	2.246	9	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.1550	1.855	5	111.1550	3.442	5	111.0790	2.246	9	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.2360	0.000	1	109.2360	0.000	1	111.0790	2.246	9	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(H)3	109.3060	0.000	1	109.3060	0.000	1	110.1295	1.356	2	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	110.9530	0.000	1	110.9530	0.000	1	110.1295	1.356	2	110.8526	2.880	33	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2N)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2N)(CCHH)(H)2	117.5680	0.000	1	117.5680	0.000	1	117.5680	0.000	1	117.5680	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[4x6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]CC)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]CC)(COO)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	110.0848	10.793	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]CC)(COO)(H){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.2725	4.584	2	111.2725	21.015	2	111.2725	21.015	2	110.0848	10.793	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	110.0848	10.793	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	112.7040	0.000	1	112.7040	0.000	1	112.7040	0.000	1	110.0848	10.793	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(CH3)(CCO){2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.2570	0.000	1	111.2570	0.000	1	111.3265	0.010	2	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CH3)(COO){1|C<2>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.3960	0.000	1	111.3960	0.000	1	111.3265	0.010	2	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	114.5100	0.000	1	114.2210	0.649	3	113.8410	1.010	4	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.3110	0.000	1	114.2210	0.649	3	113.8410	1.010	4	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	114.8420	0.000	1	114.2210	0.649	3	113.8410	1.010	4	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.7010	0.000	1	112.7010	0.000	1	113.8410	1.010	4	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[3,6]-4:C[6]-4:S-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3,6]HS)(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.6850	0.000	1	107.6850	0.000	1	107.6850	0.000	1	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C(C[6]C[6]2C)(H)3	114.5250	1.956	2	114.5250	3.825	2	114.0983	1.393	10	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)(H)3	113.9916	1.086	8	113.9916	1.179	8	114.0983	1.393	10	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.3845	0.165	2	110.3845	0.027	2	111.4385	1.670	4	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	111.9730	0.000	1	112.4925	0.540	2	111.4385	1.670	4	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CCO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	113.0120	0.000	1	112.4925	0.540	2	111.4385	1.670	4	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	112.0820	0.000	1	112.0820	0.000	1	114.5543	1.697	7	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	114.9270	0.000	1	114.7780	0.497	5	114.5543	1.697	7	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	114.7407	0.808	4	114.7780	0.497	5	114.5543	1.697	7	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO)	C[6](C[6]C[6]CC)2(CHHN)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(CHHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	115.9080	0.000	1	115.9080	0.000	1	114.5543	1.697	7	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]N[6]CC)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	116.4110	0.000	1	116.4110	0.000	1	113.1260	21.582	2	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2N)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	109.8410	0.000	1	109.8410	0.000	1	113.1260	21.582	2	113.3178	4.172	31	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(OH)(H)2	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	112.2400	9.583	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO)	C[6](C[6]C[6]CC)2(CHHO)(H)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OC)(H)2	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	112.2400	9.583	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	112.1125	0.377	2	112.1125	0.142	2	112.1125	0.142	2	112.1125	0.142	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	113.3305	0.394	2	113.3305	0.155	2	113.3305	0.155	2	110.4769	11.002	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.7635	3.349	8	109.7635	11.215	8	109.7635	11.215	8	110.4769	11.002	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-3:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	111.5820	0.097	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.7560	0.112	2	111.7560	0.012	2	111.7560	0.012	2	111.5820	0.097	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:3:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	2:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	2:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	O[6]-2:C[3]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	2:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	O[6]-2:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6](O[6]C[6,6a])(C[3]C[3]2H)(C[6]C[6]CC)(H){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.0185	0.713	2	109.0185	0.509	2	109.0185	0.509	2	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2	C(C[6]C[5,5,6,6]C[6]C)(H)3	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2{2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2{1|C<3>,2|N<2>,3|C<4>}	C(C[6]C[5,5,6,6]C[6]C)(H)3	108.4465	0.988	2	108.4465	0.976	2	108.4465	0.976	2	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.2270	0.000	1	109.2270	0.000	1	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9620	0.389	2	109.9620	0.151	2	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.6765	1.285	2	109.3817	0.848	12	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3227	0.911	10	109.3817	0.848	12	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4517	0.678	36	109.4591	0.449	38	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5920	0.714	2	109.4591	0.449	38	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.1820	0.701	6	109.1820	0.491	6	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3710	0.000	1	110.3710	0.000	1	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	108.6620	1.187	2	108.6620	1.408	2	109.4188	0.542	62	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	109.6155	1.384	2	109.6155	1.915	2	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.4435	1.026	2	109.5557	0.857	30	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	109.5717	0.912	26	109.5557	0.857	30	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.4610	1.715	2	109.5557	0.857	30	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4615	1.154	4	109.5448	0.444	14	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.5781	0.439	10	109.5448	0.444	14	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4910	0.697	2	109.4910	0.486	2	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4230	0.000	1	110.4230	0.000	1	109.5701	0.704	49	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.6500	0.000	1	109.5278	0.009	5	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.4972	0.072	4	109.5278	0.009	5	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.2510	0.000	1	110.2510	0.000	1	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0605	0.721	2	109.4799	2.221	8	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	109.7780	3.456	2	109.4799	2.221	8	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.0405	0.697	4	109.4799	2.221	8	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.1042	0.814	6	109.1042	0.662	6	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.8675	1.274	4	109.8675	1.624	4	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7480	0.642	2	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8897	1.020	4	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5577	1.214	4	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9210	0.968	8	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8900	0.940	136	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.7113	0.903	58	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|S<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.5245	1.546	2	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5363	1.040	62	109.7654	0.926	276	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5855	1.008	2	109.7609	0.990	267	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5880	0.668	2	109.7609	0.990	267	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8184	1.295	41	109.7609	0.990	267	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7534	0.938	222	109.7609	0.990	267	109.7517	0.964	567	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.1470	0.540	2	109.1470	0.292	2	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2C)(H)3	110.2343	0.570	4	110.2343	0.325	4	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	109.7970	1.691	2	110.1033	1.029	12	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.7120	0.856	6	110.1033	1.029	12	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3432	0.157	4	110.1033	1.029	12	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.9860	0.749	50	109.9752	0.582	52	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.7040	1.427	2	109.9752	0.582	52	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.0317	0.871	6	110.0317	0.759	6	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.7399	0.876	10	109.7127	0.674	12	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.5765	0.685	2	109.7127	0.674	12	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.9110	0.546	2	109.9110	0.298	2	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.0390	0.000	1	111.0390	0.000	1	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)2(CH3)2	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)2(CH3)2{1|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6094	0.476	16	109.6094	0.226	16	109.9115	0.591	107	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.6483	0.221	4	109.6483	0.049	4	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	108.1330	0.525	2	108.1330	0.275	2	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8062	0.560	18	109.6279	0.339	62	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6529	0.529	36	109.6279	0.339	62	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4085	0.142	2	109.6279	0.339	62	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	108.8932	0.881	4	109.6279	0.339	62	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.2610	0.284	2	109.6279	0.339	62	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5451	0.677	28	109.5609	0.404	41	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3200	0.730	4	109.5609	0.404	41	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7171	0.465	9	109.5609	0.404	41	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.7315	1.184	2	109.8328	0.587	6	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.8835	0.708	4	109.8328	0.587	6	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.3835	1.424	4	109.3835	2.029	4	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3290	0.140	2	109.3290	0.020	2	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.4285	0.190	2	109.4285	0.036	2	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7365	0.853	2	109.7365	0.728	2	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3745	0.735	2	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.2750	0.352	2	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0857	0.614	280	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1945	0.520	2	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1152	1.133	258	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3775	0.788	2	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5610	0.871	2	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.4900	0.802	4	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.1418	0.726	4	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	108.9125	0.319	2	110.0854	0.807	558	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4125	0.616	2	109.9018	0.645	6	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6465	0.829	4	109.9018	0.645	6	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.3960	1.421	2	109.3960	2.020	2	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8654	0.504	48	109.9647	0.286	78	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1139	0.473	16	109.9647	0.286	78	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1545	0.472	6	109.9647	0.286	78	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1195	0.792	8	109.9647	0.286	78	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5538	0.453	4	109.5538	0.206	4	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.9080	1.307	2	109.9080	1.708	2	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.2860	0.618	2	109.2860	0.382	2	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0273	0.440	4	109.7148	0.154	20	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6485	0.270	4	109.7148	0.154	20	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6328	0.385	12	109.7148	0.154	20	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5858	0.550	19	109.5858	0.303	19	109.9674	0.703	816	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.1335	0.576	2	110.1335	0.332	2	109.3538	2.614	6	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)2(CH3)2	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]HH)2(CH3)2{1|Ge<4>,2|C<3>}	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|N<3>}	C(C[6]C[6]2C)(H)3	108.9640	1.907	4	108.9640	3.637	4	109.3538	2.614	6	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	109.4107	1.409	3	109.4107	1.987	3	108.8629	2.803	11	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)2(CH3)2	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6,6]HH)2(CH3)2{1|Ga<5>,2|C<3>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.6275	1.576	4	108.6275	2.483	4	108.8629	2.803	11	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)2(CH3)2	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6,6]HH)2(CH3)2{1|In<5>,2|P<4>}	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C(C[6]C[6]2C)(H)3	108.6875	2.263	4	108.6875	5.123	4	108.8629	2.803	11	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8725	2.575	2	109.8725	6.628	2	109.8725	6.628	2	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4950	2.056	2	109.4950	4.228	2	109.9220	2.296	6	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2{2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1355	1.495	4	110.1355	2.235	4	109.9220	2.296	6	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6,6a]PtC)(C[6]C[6,6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6,6a]PtC)(C[6]C[6,6a]HH)(CH3)2{3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]P[6]C)(H)3	108.6260	1.080	2	108.6260	1.167	2	108.6260	1.167	2	109.8414	0.836	1632	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(NOO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NOO)(H)2	112.3050	0.000	1	112.3050	0.000	1	112.3050	0.000	1	109.6178	8.658	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(NOO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(NOO)(H)2	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	109.6178	8.658	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	109.6178	8.658	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	109.6178	8.658	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	107.1190	0.000	1	108.1024	0.329	5	108.1024	0.329	5	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CHHO)(H)2	108.3482	0.190	4	108.1024	0.329	5	108.1024	0.329	5	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.7860	2.814	2	109.6725	3.395	19	109.6725	3.395	19	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.8955	1.617	2	109.6725	3.395	19	109.6725	3.395	19	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|Mo<5>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.6277	1.898	15	109.6725	3.395	19	109.6725	3.395	19	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.5985	0.276	2	109.5985	0.076	2	109.6503	1.027	18	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C[6](N[6]C[6,6]Mo)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|Mo<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6,6]Mo)(C[6]C[6]CC)(H)2{2|H<1>,2|N<3>}	C(C[6]C[6]2C)(CH3)(H)2	109.6568	1.076	16	109.6568	1.158	16	109.6503	1.027	18	109.4144	2.321	43	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	C(C[6]C[6]2C)(CHHO)(OH)(H)	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CH3)2(H)	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:1:1:	4:4:4:4:	Si[6]-4:C[6]-4:Si-4:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3)	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2	C(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2{1|Si<4>,1|C<4>,1|O<2>,3|C<3>}	C(C[6]Si[6]C[6]Si)(CH3)3	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.6230	1.144	4	109.6230	1.309	4	109.6230	1.309	4	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	110.1015	1.764	2	110.1015	3.113	2	110.0037	1.050	4	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	109.9060	0.027	2	109.9060	0.001	2	110.0037	1.050	4	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.0185	1.767	2	111.0185	3.123	2	111.0185	3.123	2	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.0900	0.725	2	109.0900	0.526	2	109.0900	0.526	2	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.0765	2.013	4	110.9921	2.197	28	110.9921	2.197	28	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.3940	1.294	2	110.9921	2.197	28	110.9921	2.197	28	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9529	1.469	16	110.9921	2.197	28	110.9921	2.197	28	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.5785	1.777	2	110.9921	2.197	28	110.9921	2.197	28	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.6655	1.196	2	110.9921	2.197	28	110.9921	2.197	28	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.4755	2.671	2	110.9921	2.197	28	110.9921	2.197	28	110.5937	2.304	41	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(CC[3]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	C(C[6]C[6]2C)(CC[3]HH)(H)2	105.8530	0.000	1	105.8530	0.000	1	105.8530	0.000	1	108.8623	4.831	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	109.8653	1.099	3	109.8653	1.209	3	109.8653	1.209	3	108.8623	4.831	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:2:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.8315	0.012	2	110.8315	0.000	2	110.8315	0.000	2	110.8315	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	109.6400	0.403	2	109.6400	0.162	2	109.6400	0.162	2	109.8787	3.424	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	112.0895	1.409	4	112.0895	1.986	4	112.0895	1.986	4	109.8787	3.424	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.2523	1.508	4	109.2523	2.274	4	109.0217	1.574	6	109.8787	3.424	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.5605	0.640	2	108.5605	0.410	2	109.0217	1.574	6	109.8787	3.424	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2C)(H)3	108.6575	2.507	2	108.6575	6.284	2	108.8043	3.206	3	109.8787	3.424	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.0980	0.000	1	109.0980	0.000	1	108.8043	3.206	3	109.8787	3.424	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C(C[6]C[6]2C)(CHN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2C)(CHN)(H)2	109.4615	0.230	2	109.4615	0.053	2	109.4615	0.053	2	109.4615	0.053	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.0855	0.380	2	111.0855	0.144	2	111.0855	0.144	2	110.0862	0.906	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5865	0.680	4	109.5865	0.463	4	109.5865	0.463	4	110.0862	0.906	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H)	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H){1|O<2>,3|H<1>,6|C<4>}	C(C[6]C[5]C[6]2)(H)3	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	110.3475	2.598	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|C<4>,4|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.1885	3.135	2	111.1885	9.826	2	111.1885	9.826	2	110.3475	2.598	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.2040	0.797	4	109.2040	0.635	4	109.2040	0.635	4	110.3475	2.598	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	111.4280	0.648	2	111.4280	0.420	2	111.4280	0.420	2	110.3475	2.598	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|W<7>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H){3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.0890	2.227	2	111.0890	4.961	2	111.0890	4.961	2	110.3475	2.598	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)2(CH3)2	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]CH)2(CH3)2{1|B<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7398	1.275	4	109.7398	1.625	4	109.7398	1.625	4	110.3475	2.598	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	3:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3)	C(C[6]C[6]2C)(CC[3]HH)(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(CC[3]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(CC[3]HH)(H)2	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[3,6]C[6]C)(H)3	109.2275	1.551	2	109.2275	2.405	2	109.2275	2.405	2	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.9102	1.204	4	108.9102	1.449	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	109.4100	0.477	2	109.4100	0.227	2	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	108.6063	2.393	4	108.4102	3.986	28	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	108.4034	2.028	18	108.4102	3.986	28	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<1>}	C(C[6]C[6]2C)(H)3	108.4595	1.949	2	108.4102	3.986	28	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	108.2675	2.775	2	108.4102	3.986	28	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	108.1720	2.951	2	108.4102	3.986	28	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	108.7643	1.839	4	108.7643	3.382	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2{2|C<3>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8460	1.368	4	109.8460	1.873	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	109.1625	1.366	4	109.1625	1.866	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	107.8495	3.135	2	107.8347	5.141	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<1>,1|S<2>}	C(C[6]C[6]2C)(H)3	107.8200	2.366	2	107.8347	5.141	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3){1|Fe<5>,1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|Fe<5>,1|H<1>,1|O<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	107.2170	0.000	1	107.2170	0.000	1	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CC3)(CH3)	C[6](C[6]C[6]CC)(O[6]S[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CC3)(CH3){1|S<4>}	C[6](C[6]C[6]CC)(O[6]S[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	C(C[6]C[6]2C)(H)3	108.7415	0.503	2	108.7415	0.253	2	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<4>}	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0145	0.914	4	110.0145	0.836	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<4>}	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2{2|H<1>,3|O<2>}	C(C[6]C[6]2C)(H)3	110.0007	0.849	4	110.0007	0.721	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|B<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9326	0.449	15	109.8672	0.786	71	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7654	0.936	16	109.8672	0.786	71	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7862	1.079	20	109.8672	0.786	71	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Cu<2>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.2293	0.656	8	109.8672	0.786	71	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Pt<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8148	1.064	12	109.8672	0.786	71	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8511	1.518	8	109.8511	2.305	8	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9918	0.654	28	109.9476	0.442	52	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8960	0.687	24	109.9476	0.442	52	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8999	0.766	8	109.8675	0.433	28	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8546	0.631	20	109.8675	0.433	28	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0834	0.679	52	110.0173	0.637	106	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.9265	1.022	31	110.0173	0.637	106	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9903	0.724	23	110.0173	0.637	106	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2{1|N<3>,2|H<1>,3|O<2>}	C(C[6]C[6]2C)(H)3	109.5927	0.986	4	109.5927	0.973	4	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C(C[6]C[6]2C)(H)3	109.3269	1.637	8	109.3269	2.681	8	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<3>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.5605	1.369	4	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5101	1.503	135	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4876	1.626	156	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5453	1.050	12	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.4680	1.429	32	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|S<1>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.6418	3.013	4	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6103	1.701	4	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4193	1.594	4	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.4161	1.322	12	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.2120	1.964	4	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Dy<13>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.2058	1.755	24	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Er<13>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.1217	2.100	24	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Gd<13>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.1767	1.636	24	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Ho<13>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.1445	1.887	24	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|La<14>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.2119	1.637	23	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Nd<14>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.3798	1.458	24	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Pr<14>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.3948	1.769	23	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Tb<13>,1|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.2675	1.725	22	109.4067	2.587	555	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CHHO)(CH3){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.7155	0.207	2	110.7155	0.043	2	109.5275	2.124	895	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(S[6]C[6])(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(S[6]C[6])(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	111.4250	0.850	2	111.4250	0.722	2	111.4250	0.722	2	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.4680	1.308	2	111.4680	1.711	2	111.4680	1.711	2	109.5353	2.132	901	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(OC)(H)2	109.4520	0.000	1	109.4520	0.000	1	109.3815	2.244	43	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CCHH)(CHHO)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]O[6]HH)2(CCHH)(CHHO){1|B<3>}	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	109.4584	0.693	8	109.4584	0.481	8	109.3815	2.244	43	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]O[6]HH)2(CHHO)(CH3){1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	111.0130	0.025	2	111.0130	0.001	2	109.3815	2.244	43	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.6552	1.720	4	109.6552	2.959	4	109.3815	2.244	43	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.2007	1.155	4	109.6698	1.323	20	109.3815	2.244	43	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.7871	1.156	16	109.6698	1.323	20	109.3815	2.244	43	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	C(C[6]C[6]2C)(OP[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C(C[6]C[6]2C)(OP[6])(H)2	108.0304	2.234	8	108.0304	4.992	8	109.3815	2.244	43	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHS)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(SC)(H)2	C[6](C[6]O[6]HH)2(CHHS)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(SC)(H)2	109.3173	2.150	4	109.3173	4.623	4	109.3173	4.623	4	109.3761	2.351	47	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(CCC)(H)2	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.9071	6.934	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:S-3:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHS)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(SFe2)(H)2	C[6](C[6]O[6]HH)2(CHHS)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(SFe2)(H)2	109.0216	2.921	8	109.0216	8.532	8	109.0216	8.532	8	108.9071	6.934	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:Se-3:H-1:H-1:	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(SeFe2)(H)2	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3){1|Fe<5>,1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|Fe<5>,1|H<1>,1|O<3>,2|C<4>}	C(C[6]C[6]2C)(SeFe2)(H)2	108.4030	0.000	1	108.4030	0.000	1	109.5024	8.776	5	108.9071	6.934	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:Se-3:H-1:H-1:	C[6](C[6]O[6]HH)2(CSeHH)2	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	C(C[6]C[6]2C)(SeFe2)(H)2	C[6](C[6]O[6]HH)2(CSeHH)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(SeFe2)(H)2	109.7773	3.346	4	109.7773	11.198	4	109.5024	8.776	5	108.9071	6.934	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(S[6]C[6])(H)2	C(C[6]C[6]2C)(CHN)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(S[6]C[6])(H)2{1|H<1>,3|C<3>}	C(C[6]C[6]2C)(CHN)(H)2	107.0100	0.311	2	107.0100	0.097	2	107.0100	0.097	2	108.9071	6.934	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C(C[6]C[6]2C)(CH3)(H)2	109.6825	0.435	2	109.6825	0.189	2	109.6825	0.189	2	109.4613	1.915	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]HH)2(CCHH)(CHHO)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]O[6]HH)2(CCHH)(CHHO){1|B<3>}	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.9089	1.153	8	109.9089	1.330	8	109.5413	2.226	12	109.4613	1.915	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]HH)2(CCHH)2	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]O[6]HH)2(CCHH)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	C(C[6]C[6]2C)(CH3)(H)2	108.8063	1.994	4	108.8063	3.976	4	109.5413	2.226	12	109.4613	1.915	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH)	C[6](C[6]C[6]2C)(O[6]O[6])(H)2	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(O[6]O[6])(H)2{1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	109.4613	1.915	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:1:1:	4:4:4:4:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]O[6]HH)2(CC3)(CH3)	C[6](C[6]C[6]CC)(O[6]S[6])(H)2	C(C[6]C[6]2C)(CH3)3	C[6](C[6]O[6]HH)2(CC3)(CH3){1|S<4>}	C[6](C[6]C[6]CC)(O[6]S[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	C(C[6]C[6]2C)(CH3)3	109.2970	0.033	2	109.2970	0.001	2	109.2970	0.001	2	109.2970	0.001	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.8855	0.224	2	108.8855	0.050	2	109.1120	0.523	4	109.0766	0.399	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3385	1.146	2	109.3385	1.314	2	109.1120	0.523	4	109.0766	0.399	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:O[6]-2:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3)	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3){2|H<1>,5|C<4>}	C[6](C[6]C[6]2C)(O[6]C[6,6])(O[6]C[6])(H){2|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]3)(H)3	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	109.0766	0.399	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	108.8695	2.248	2	108.8695	5.053	2	108.8695	5.053	2	108.8695	5.053	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:3:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2{1|C<4>,1|H<1>}	C[6](C[6]C[3,6]CC)(O[6]C[6])(COO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[3,6]C[6]C)(H)3	111.4080	0.407	2	111.4080	0.166	2	111.4080	0.166	2	111.2395	0.167	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.1552	0.440	4	111.1552	0.194	4	111.1552	0.194	4	111.2395	0.167	6	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.5460	0.000	1	107.5460	0.000	1	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.8880	1.462	2	110.8880	2.138	2	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CF3)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	112.4820	0.000	1	112.4820	0.000	1	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.7280	0.624	2	111.8092	4.904	4	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	C[6](C[6]C[6]CC)(O[6]P[6])(CCCH)(H){1|O<2>,1|S<1>,1|S<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.8905	3.781	2	111.8092	4.904	4	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	111.0440	0.031	2	111.0440	0.001	2	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CCCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	111.4050	3.821	2	111.4050	14.602	2	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)2(CH3)2	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)2(CH3)2{1|C<4>}	C[6](C[6]C[6]CC)(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	108.6140	3.001	2	108.6140	9.006	2	110.7976	5.259	14	110.7976	5.259	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:2:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(O[6]C[6])(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	108.5290	0.218	2	108.5290	0.047	2	108.5290	0.047	2	108.5290	0.047	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]C)(H)3	109.3065	0.264	2	109.3065	0.070	2	109.3065	0.070	2	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3){1|S<4>,3|C<3>}	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2{1|N<2>,3|C<3>}	C(C[6]C[3,6]C[6]C)(H)3	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	C(C[6]C[4]C[6]2)(H)3	109.3070	0.000	1	109.3070	0.000	1	109.1755	0.035	2	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	C(C[6]C[4]C[6]2)(H)3	109.0440	0.000	1	109.0440	0.000	1	109.1755	0.035	2	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.0978	0.787	4	110.0978	0.620	4	109.6432	0.487	17	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	109.4080	0.000	1	109.4080	0.000	1	109.6432	0.487	17	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.5113	0.664	12	109.5113	0.440	12	109.6432	0.487	17	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2{1|O<1>,2|C<4>,2|H<1>,5|O<2>}	C(C[6]C[5]C[6]2)(H)3	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3){1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.3780	0.000	1	108.3780	0.000	1	108.2080	3.157	9	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6850	1.909	2	108.6850	3.645	2	108.2080	3.157	9	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.0207	2.045	6	108.0207	4.183	6	108.2080	3.157	9	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.1283	1.882	4	109.1283	3.541	4	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3153	0.771	4	109.3153	0.595	4	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.4645	1.114	2	108.4645	1.240	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9180	0.765	2	109.9180	0.585	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4998	0.398	8	109.4948	0.123	10	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4750	0.048	2	109.4948	0.123	10	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	110.8245	1.160	2	110.8245	1.346	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.0440	2.247	2	109.0440	5.050	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	108.5200	0.000	1	108.5200	0.000	1	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.3740	0.000	1	109.3740	0.000	1	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1945	0.258	2	110.1945	0.067	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7620	0.399	2	109.6723	0.504	132	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.7255	0.326	2	109.6723	0.504	132	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8660	0.395	2	109.6723	0.504	132	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6005	0.561	2	109.6723	0.504	132	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8938	0.898	4	109.6723	0.504	132	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.6605	0.725	120	109.6723	0.504	132	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3215	0.039	2	110.3215	0.002	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0977	0.985	16	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|I<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8230	2.134	2	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3745	1.600	2	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6245	1.129	4	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.7876	0.684	33	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9554	1.005	26	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.0555	1.442	2	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6277	0.836	4	109.8529	0.834	89	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9700	0.123	2	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8927	0.539	6	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.5115	0.474	2	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.3450	0.584	2	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.2026	0.764	16	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8775	0.190	2	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9900	1.315	2	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1273	0.405	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8419	0.533	32	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3212	0.840	26	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0535	0.713	238	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6923	0.882	12	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9933	0.446	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9440	0.857	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.7567	0.634	35	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8648	1.015	16	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1205	0.526	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7853	0.688	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9312	0.658	24	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1754	0.971	66	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.5198	0.197	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6917	0.985	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8792	0.409	8	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4625	0.184	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1525	0.107	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.7595	0.501	8	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.6500	0.484	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.5373	0.404	4	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Ru<10>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1480	0.853	2	110.0054	0.551	543	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.7835	0.266	4	109.7835	0.071	4	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4585	0.606	2	109.4585	0.367	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|W<7>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.6155	0.506	2	108.6155	0.256	2	109.9079	0.614	804	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.8420	2.052	2	109.3195	2.812	6	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.5583	1.748	4	109.3195	2.812	6	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2120	0.000	1	110.2120	0.000	1	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|Pd<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.3520	2.810	4	109.3713	7.280	8	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8000	1.557	2	109.3713	7.280	8	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|Re<6>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.9810	3.891	2	109.3713	7.280	8	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8785	1.279	4	109.9263	1.160	14	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8752	1.344	4	109.9263	1.160	14	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0858	0.876	4	109.9263	1.160	14	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8050	1.516	2	109.9263	1.160	14	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|P<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	C(C[6]C[6]2C)(H)3	109.4384	1.356	16	109.4384	1.840	16	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CHHN)(CH3){3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.0085	0.725	2	109.0085	0.525	2	109.5553	2.435	47	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2	C(C[6]C[6]2P)(H)3	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2P)(H)3	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.2058	0.439	18	111.2058	0.193	18	111.2058	0.193	18	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6]PdC)(C[6]C[6]HH)(CH3)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6]PdC)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	C(C[6]C[6]P[6]C)(H)3	108.6284	1.182	16	108.6284	1.397	16	108.7323	1.986	26	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6]Pd)(C[6]C[6]HH)(CH3)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6]Pd)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]P[6]C)(H)3	109.4310	1.449	4	109.4310	2.101	4	108.7323	1.986	26	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]P[6]C)(H)3	110.5525	0.674	2	108.5435	4.008	6	108.7323	1.986	26	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]P[6]C)(H)3	107.5390	1.579	4	108.5435	4.008	6	108.7323	1.986	26	109.8576	0.853	928	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	102.4810	0.000	1	102.4810	0.000	1	102.4810	0.000	1	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	C(C[6]C[6]2C)(OC)(H)2	111.0660	0.000	1	111.0660	0.000	1	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C(C[6]C[6]2C)(OC)(H)2	107.8200	0.000	1	107.8200	0.000	1	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	109.9580	0.887	2	109.8100	2.958	4	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	109.6620	2.828	2	109.8100	2.958	4	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.2330	0.164	2	109.2330	0.027	2	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.8155	1.438	2	109.8155	2.067	2	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	107.9625	3.522	2	108.4993	4.731	4	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	109.0360	0.796	2	108.4993	4.731	4	109.3014	2.663	14	108.8467	5.574	15	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	C(C[6]C[6]2C)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CCC)(H)2	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	110.1890	3.799	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	110.1890	3.799	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]C)(NCuC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(NCuC)(H)2	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	110.1890	3.799	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3){1|S<4>,3|C<3>}	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2{1|N<2>,3|C<3>}	C(C[6]C[3,6]C[6]C)(CF3)(H)2	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	111.6140	0.000	1	111.6140	0.000	1	111.6140	0.000	1	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3){1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	107.6090	0.000	1	107.6090	0.000	1	108.5573	1.522	3	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<3>,2|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.0315	1.302	2	109.0315	1.695	2	108.5573	1.522	3	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]HH)2(CCHH)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]N[6]HH)2(CCHH)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.4056	1.516	56	109.4056	2.299	56	109.4056	2.299	56	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]N[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]2C)(NCHH)(H)2	C[6](C[6]N[6]HH)2(CHHN)(CH3){3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(NCHH)(H)2	112.4205	1.039	2	112.4205	1.079	2	112.4205	1.079	2	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(NCuCH)(H)2	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	109.6139	2.946	66	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H)	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	108.6260	0.861	2	108.6260	0.742	2	108.6260	0.742	2	108.4655	1.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.5452	0.581	4	107.5452	0.338	4	107.5452	0.338	4	108.4655	1.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1455	1.115	2	110.1455	1.243	2	110.1455	1.243	2	108.4655	1.726	8	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.9325	0.740	2	109.9325	0.548	2	109.9325	0.548	2	109.9325	0.548	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	110.7485	2.578	4	110.7485	6.645	4	110.7485	6.645	4	109.8971	3.988	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	113.8520	0.000	1	113.8520	0.000	1	109.8317	3.487	12	109.8971	3.988	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	107.0900	0.000	1	107.0900	0.000	1	109.8317	3.487	12	109.8971	3.988	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8801	1.027	8	109.8801	1.056	8	109.8317	3.487	12	109.8971	3.988	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(COO)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.9985	2.426	2	108.9985	5.886	2	109.8317	3.487	12	109.8971	3.988	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.9525	2.207	2	108.9525	4.870	2	109.2420	4.271	4	109.8971	3.988	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.5315	2.758	2	109.5315	7.609	2	109.2420	4.271	4	109.8971	3.988	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]O)(H){1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	113.1520	0.000	1	113.1520	0.000	1	112.1350	2.069	2	112.1350	2.069	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	111.1180	0.000	1	111.1180	0.000	1	112.1350	2.069	2	112.1350	2.069	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	112.3820	0.000	1	112.3820	0.000	1	111.1980	9.154	7	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.7140	0.322	2	110.7140	0.104	2	111.1980	9.154	7	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	111.1440	4.201	4	111.1440	17.647	4	111.1980	9.154	7	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6a]HH)(H){1|Br<1>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4460	1.370	2	110.4460	1.878	2	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	108.6525	3.495	2	108.6525	12.217	2	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.0990	0.853	2	111.0990	0.727	2	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.3720	0.000	1	110.3720	0.000	1	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.4540	0.000	1	109.4540	0.000	1	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2C)(H)3	110.2335	1.365	2	110.2335	1.864	2	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.3160	0.000	1	109.3160	0.000	1	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1760	3.449	2	110.1760	11.897	2	110.0274	3.008	13	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.8787	1.158	4	109.8787	1.342	4	110.6754	3.314	8	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.4720	2.168	4	111.4720	4.699	4	110.6754	3.314	8	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	110.5313	4.333	29	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(OC)(H)2	108.8980	0.000	1	108.8980	0.000	1	109.8810	0.744	3	109.8810	0.744	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(OC)(H)2	110.3725	0.194	2	110.3725	0.038	2	109.8810	0.744	3	109.8810	0.744	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:3:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]C)(CCH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(CCH)(H)2	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	112.3750	0.000	1	112.3750	0.000	1	113.5590	7.020	4	113.5590	7.020	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	114.0230	0.000	1	114.0230	0.000	1	113.5590	7.020	4	113.5590	7.020	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(H)2	117.0160	0.000	1	117.0160	0.000	1	113.5590	7.020	4	113.5590	7.020	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]N)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	110.8220	0.000	1	110.8220	0.000	1	113.5590	7.020	4	113.5590	7.020	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,5,6]C[6]C)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,5,6]C[6]C)(H)3	109.8446	1.408	8	109.8446	1.983	8	110.0842	1.586	11	109.8006	1.881	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,5,6]C[6]C)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,5,6]C[6]C)(H)3	110.7230	0.385	3	110.7230	0.148	3	110.0842	1.586	11	109.8006	1.881	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]C[6]C)(H)3	108.6070	0.013	2	108.6070	0.000	2	108.2920	0.298	3	109.8006	1.881	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	107.6620	0.000	1	107.6620	0.000	1	108.2920	0.298	3	109.8006	1.881	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.5035	1.749	2	110.5035	3.058	2	110.5035	3.058	2	109.8006	1.881	16	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:2:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	110.0620	0.479	3	110.0620	0.230	3	110.0620	0.230	3	110.0810	0.155	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:2:	4:2:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(OC)(H)2	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	110.0810	0.155	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:3:4:3:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)(CCO){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	108.3910	0.000	1	108.3910	0.000	1	110.4807	3.614	3	110.4807	3.614	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	111.5255	0.824	2	111.5255	0.679	2	110.4807	3.614	3	110.4807	3.614	3	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3,6,6]C[6]C)(H)3	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[6](C[6]C[3,6,6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[3,6,6]C[6]C)(H)3	108.4430	0.953	2	108.4430	0.909	2	108.4430	0.909	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	108.5375	6.102	2	108.5375	37.230	2	109.1627	10.184	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	108.9765	2.488	2	108.9765	6.192	2	109.1627	10.184	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2{3|C<3>,3|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[3,6]C[6]C)(H)3	109.9740	2.309	2	109.9740	5.333	2	109.1627	10.184	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2{1|H<1>,2|O<2>,5|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	108.4295	1.319	2	108.4295	1.739	2	108.4295	1.739	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2{1|O<1>,3|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	107.9865	0.228	2	107.9865	0.052	2	107.9865	0.052	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	109.1245	0.586	2	109.1245	0.344	2	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	108.4425	1.091	2	108.9892	0.831	28	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	108.5190	1.455	2	108.9892	0.831	28	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	108.4070	1.274	2	108.9892	0.831	28	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.0215	0.217	2	108.9892	0.831	28	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.0225	2.299	2	108.9892	0.831	28	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.1412	0.789	16	108.9892	0.831	28	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.3070	0.730	2	108.9892	0.831	28	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.0065	1.042	2	109.0065	1.085	2	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.6188	1.494	8	109.6188	2.232	8	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	109.4640	0.429	2	109.4640	0.184	2	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	108.1346	1.406	10	108.1346	1.977	10	108.9459	1.340	52	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[4,6]C[6]C)(H)3	109.7255	0.255	2	109.7255	0.065	2	109.7013	0.123	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[4,6]C[6]C)(H)3	109.6770	0.550	2	109.6770	0.303	2	109.7013	0.123	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[4]C[6]2)(H)3	109.0920	0.000	1	109.0920	0.000	1	109.8280	1.083	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[4]C[6]2)(H)3	110.5640	0.000	1	110.5640	0.000	1	109.8280	1.083	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[4x6]C[6]C)(H)3	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CH3)2{2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[4x6]C[6]C)(H)3	107.5040	1.727	2	107.5040	2.982	2	107.5040	2.982	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,5,6,6]C[6]C)(H)3	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,5,6,6]C[6]C)(H)3	109.4765	1.316	2	109.4765	1.732	2	109.4765	1.732	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	109.0880	0.762	2	109.0880	0.581	2	108.5627	1.625	16	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[5,6,6]C[6]C)(H)3	108.8865	0.180	2	109.1407	0.377	4	108.5627	1.625	16	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	109.3950	0.916	2	109.1407	0.377	4	108.5627	1.625	16	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	108.2097	1.636	6	108.2264	2.182	10	108.5627	1.625	16	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	108.2515	1.443	4	108.2264	2.182	10	108.5627	1.625	16	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.1090	2.094	6	110.1090	4.386	6	110.1090	4.386	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2{1|B<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.1050	2.396	2	111.1050	5.739	2	111.1050	5.739	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.5426	0.784	12	109.2480	0.660	24	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	108.9533	0.760	12	109.2480	0.660	24	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.3355	0.943	2	110.3355	0.888	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	110.6797	1.080	4	110.3532	1.161	22	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	110.2806	1.094	18	110.3532	1.161	22	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|H<1>,1|I<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HI)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]C)(H)3	109.4470	1.701	2	109.4470	2.894	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.5763	1.629	4	109.5763	2.653	4	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	110.3275	3.156	2	110.3275	9.959	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.1575	0.479	6	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.6725	1.541	2	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.5525	0.729	2	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.1910	2.015	2	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.5376	2.285	8	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.0650	2.647	6	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.2045	1.288	2	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.0010	1.168	2	109.8293	2.954	30	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	110.1170	0.905	2	110.1170	0.819	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	109.4175	1.576	2	109.4175	2.484	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.0445	1.534	2	109.0445	2.352	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.3710	0.764	2	109.3710	0.583	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{3|C<3>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.1155	2.650	2	110.1155	7.020	2	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	108.7960	0.853	2	109.2373	0.405	6	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.4580	0.487	4	109.2373	0.405	6	109.7518	1.799	102	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2	C(C[6]C[5,6]C[6]P)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CP)(H)2{1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]P)(H)3	110.1600	0.365	2	110.1600	0.133	2	110.1600	0.133	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[5]C[6]2)(H)3	113.3490	0.000	1	113.3490	0.000	1	113.3490	0.000	1	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]C[5,6]O[5]H)(C[6]C[5,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5]C[6]2)(H)3	110.3590	0.000	1	110.3590	0.000	1	109.6476	0.796	5	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CH3){3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<13>,3|H<1>,4|C<4>}	C(C[6]C[5]C[6]2)(H)3	108.9050	1.129	2	108.9050	1.274	2	109.6476	0.796	5	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]C[5]O[5]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[5]C[6]2)(H)3	110.0370	0.000	1	110.0370	0.000	1	109.6476	0.796	5	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]2)(H)3	C[6](C[5]O[5]2C)(C[6]C[6]HH)2(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C(C[6]C[5]C[6]2)(H)3	110.0320	0.000	1	110.0320	0.000	1	109.6476	0.796	5	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1840	4.113	2	109.1840	16.913	2	109.1840	16.913	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.5725	2.022	2	108.5725	4.087	2	108.5725	4.087	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9155	1.051	4	110.5550	4.549	10	110.3322	2.554	38	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.1030	2.896	2	110.5550	4.549	10	110.3322	2.554	38	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.9205	2.972	4	110.5550	4.549	10	110.3322	2.554	38	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9340	1.778	2	110.9340	3.160	2	110.3322	2.554	38	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.1165	1.149	4	109.9501	1.994	18	110.3322	2.554	38	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.9026	1.514	14	109.9501	1.994	18	110.3322	2.554	38	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(Br)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.7631	1.263	8	110.7631	1.594	8	110.3322	2.554	38	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.6165	2.273	4	110.6165	5.168	4	110.6165	5.168	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.7862	0.501	8	109.7067	0.547	10	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.3885	1.708	2	109.7067	0.547	10	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.3950	0.304	2	108.3950	0.092	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4955	1.059	2	108.4955	1.121	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7274	0.921	8	108.8077	0.657	12	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9682	0.614	4	108.8077	0.657	12	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6925	0.902	2	108.6925	0.813	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2{1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	106.5275	0.749	4	106.5275	0.561	4	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8835	0.949	6	111.8835	0.901	6	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.3020	3.329	2	108.6531	1.769	8	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	108.7702	0.441	6	108.6531	1.769	8	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|Cr<9>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.1360	1.795	4	109.1360	3.222	4	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]B[5]H)(C[6]C[6,6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	109.3460	0.396	2	109.3460	0.157	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4513	2.333	8	108.4513	5.441	8	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6467	2.822	6	108.5666	4.268	12	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.4865	1.189	6	108.5666	4.268	12	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|F<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.8820	2.018	2	108.8820	4.073	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6195	1.883	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6139	1.263	8	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1630	1.673	4	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.4972	1.272	6	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4020	2.482	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1280	2.031	4	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.1230	0.985	4	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4910	1.510	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4715	2.845	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.6708	3.156	6	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7232	0.890	10	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9167	1.567	64	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7127	0.941	6	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6230	1.363	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7315	0.926	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.2645	1.211	8	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.2865	1.542	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.0220	2.400	18	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4250	2.753	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.6187	1.568	12	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.8749	1.964	18	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1115	1.531	2	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4677	2.309	4	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7838	1.799	157	108.7916	3.014	347	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|I<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.1760	1.799	6	108.1760	3.235	6	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.6803	1.637	4	108.2331	3.801	8	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.7860	2.318	4	108.2331	3.801	8	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6375	2.914	2	108.6375	8.491	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.5510	0.136	2	111.0578	2.714	17	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7264	1.099	12	111.0578	2.714	17	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.0080	0.000	1	111.0578	2.714	17	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.5775	0.103	2	111.0578	2.714	17	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9413	1.385	6	109.6587	2.992	18	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.0173	1.825	12	109.6587	2.992	18	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	106.5810	0.000	1	106.9205	0.231	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.2600	0.000	1	106.9205	0.231	2	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.8860	0.000	1	110.8860	0.000	1	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6]C[6]C)(H)3	107.4691	2.033	10	107.8157	2.856	18	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.8657	0.586	4	107.8157	2.856	18	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	108.7005	2.201	2	107.8157	2.856	18	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.5635	1.261	2	107.8157	2.856	18	108.8724	3.230	493	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2523	1.629	4	110.9800	4.246	8	110.9800	4.246	8	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.7078	2.656	4	110.9800	4.246	8	110.9800	4.246	8	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	As[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]As[6]HH)2(CAsHH)(CH3)	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]As[6]HH)2(CAsHH)(CH3){1|Ga<4>,4|C<4>}	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2{1|As<4>,2|Cl<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.1430	1.721	2	111.1430	2.962	2	111.1430	2.962	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[6]2C)(H)3	109.7220	2.015	2	109.6290	2.570	4	109.6290	2.570	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	109.5360	1.901	2	109.6290	2.570	4	109.6290	2.570	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	110.1260	0.719	3	110.1260	0.517	3	110.0736	0.719	7	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.0343	1.043	4	110.0343	1.088	4	110.0736	0.719	7	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	109.9360	4.490	2	109.9360	20.161	2	109.6096	3.786	12	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	109.4165	1.426	6	109.5443	2.359	10	109.6096	3.786	12	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.7360	1.900	4	109.5443	2.359	10	109.6096	3.786	12	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6]2C)(H)3	110.0153	2.379	3	110.0153	5.658	3	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[6]2C)(H)3	110.3745	1.587	2	110.3745	2.520	2	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	110.4370	2.031	2	110.4370	4.124	2	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.2502	3.770	4	110.2502	14.212	4	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.8915	2.978	2	110.8915	8.866	2	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.4183	2.179	4	109.4183	4.749	4	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9300	1.779	4	109.9300	3.164	4	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6]2C)(H)3	110.0918	2.347	4	110.1160	6.296	6	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.1645	3.867	2	110.1160	6.296	6	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	109.8752	2.408	4	109.8752	5.797	4	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.9260	2.292	2	109.9260	5.255	2	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6]2C)(H)3	108.1770	0.000	1	108.1770	0.000	1	110.0021	4.687	34	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)2(I)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6]2C)(H)2(I)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	110.8790	2.862	2	110.8790	8.193	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	110.4770	0.478	2	110.4770	0.228	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.8410	0.000	1	110.8410	0.000	1	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2{2|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.4355	4.157	2	110.4355	17.281	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6]2C)(H)3	110.4500	0.132	2	110.4500	0.017	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	109.9311	1.374	14	109.8410	2.135	70	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3045	1.817	2	109.8410	2.135	70	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.8330	1.527	32	109.8410	2.135	70	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[6]2C)(H)3	109.5564	1.504	12	109.8410	2.135	70	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.0389	1.647	8	109.8410	2.135	70	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	C(C[6]C[6]2C)(H)3	109.7900	1.205	2	109.8410	2.135	70	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.2015	2.115	2	110.2015	4.473	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.3750	0.387	2	109.6820	2.400	16	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.2305	1.398	2	109.6820	2.400	16	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2330	2.479	2	109.6820	2.400	16	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6]2C)(H)3	109.3235	1.643	10	109.6820	2.400	16	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.0700	4.291	2	111.0700	18.410	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.4115	2.691	2	110.2527	4.680	6	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1732	2.316	4	110.2527	4.680	6	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.2340	2.648	4	110.2340	7.011	4	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.6130	1.386	2	110.6130	1.921	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.8690	2.297	4	110.8690	5.277	4	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	111.8170	0.000	1	111.8170	0.000	1	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)2	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.3805	1.129	2	110.3805	1.275	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)2	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7945	2.156	2	109.7945	4.648	2	110.0081	2.666	120	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4240	0.853	2	109.6713	4.388	8	109.6713	4.388	8	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Br)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.4203	2.386	6	109.6713	4.388	8	109.6713	4.388	8	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.6897	1.881	6	109.6897	3.540	6	109.6897	3.540	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CCHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CCHN)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.0498	1.928	10	110.0498	3.716	10	110.9824	4.312	18	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CCHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(H)3	112.5505	0.013	2	112.5505	0.000	2	110.9824	4.312	18	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(H)3	112.0140	1.993	6	112.0140	3.973	6	110.9824	4.312	18	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CFHH)(CF3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(F)3	C[6](C[6]C[6]HH)2(CFHH)(CF3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(F)3	108.8020	0.713	2	108.8020	0.508	2	108.8020	0.508	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:F-1:H-1:	C[6](C[6]C[6]HH)2(CFFH)(CFHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(F)2(H)	C[6](C[6]C[6]HH)2(CFFH)(CFHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(F)2(H)	109.1480	0.587	2	109.1480	0.344	2	109.1480	0.344	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(F)(H)2	107.9130	0.294	2	107.9130	0.087	2	109.5382	3.552	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CFFH)(CFHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6]HH)2(CFFH)(CFHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(F)(H)2	110.3910	1.530	2	110.3910	2.341	2	109.5382	3.552	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:F-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CFHH)(CF3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6]HH)2(CFHH)(CF3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(F)(H)2	110.3105	2.720	2	110.3105	7.400	2	109.5382	3.552	6	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0855	1.856	4	110.0855	3.446	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7976	1.429	10	109.7976	2.042	10	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.1145	1.186	2	109.1145	1.406	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	108.2520	0.000	1	108.2520	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.8875	2.724	2	108.7248	2.958	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.6435	1.559	4	108.7248	2.958	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2{2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(H)3	109.7540	1.656	2	109.7540	2.742	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	103.7985	0.459	2	103.7985	0.211	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9390	0.000	1	109.9390	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.8208	3.598	4	110.8208	12.943	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1850	0.857	2	110.1850	0.734	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.2350	1.259	2	110.0333	0.654	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.9325	0.722	4	110.0333	0.654	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8700	1.107	4	109.8700	1.226	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.5760	0.054	2	110.5760	0.003	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3){1|C<4>,4|C<3>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.4170	0.000	1	107.4170	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.7400	0.000	1	110.7400	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	109.2185	3.219	2	109.2185	10.365	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.9580	0.939	2	108.9580	0.882	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8605	0.491	2	109.8605	0.242	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.8125	3.335	2	110.8125	11.125	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6760	0.000	1	110.6760	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.1557	0.465	3	109.1557	0.217	3	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	109.2062	0.853	5	109.2062	0.728	5	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9120	0.000	1	109.9120	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6495	0.361	2	110.6495	0.131	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.3448	0.331	4	110.3448	0.110	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	107.7490	2.514	2	108.2779	2.707	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.4542	1.541	6	108.2779	2.707	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6350	0.215	2	110.6350	0.046	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.7140	0.000	1	110.3515	0.846	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.8973	0.177	3	110.3515	0.846	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.9720	0.000	1	110.5420	0.370	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.1120	0.000	1	110.5420	0.370	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.5748	1.627	6	110.1344	1.284	88	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4695	0.196	2	110.1344	1.284	88	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0790	1.152	32	110.1344	1.284	88	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.5581	1.419	14	110.1344	1.284	88	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1283	0.965	14	110.1344	1.284	88	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.7649	0.806	20	110.1344	1.284	88	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.9350	1.219	2	109.9350	1.486	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.7680	1.157	2	109.7680	1.338	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8178	1.444	4	109.8178	2.085	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	110.4415	1.142	2	110.8582	0.850	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	111.2750	0.742	2	110.8582	0.850	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6968	0.664	4	110.6968	0.440	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.7517	0.674	3	109.3262	1.339	5	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	107.4450	0.000	1	109.3262	1.339	5	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.9310	0.000	1	109.3262	1.339	5	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	110.1380	0.000	1	110.1380	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2090	0.000	1	110.2090	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.2440	0.209	2	109.1621	1.742	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.6735	2.097	2	109.1621	1.742	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.3470	1.291	2	109.1621	1.742	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.3840	1.410	2	109.1621	1.742	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.8450	1.372	2	108.8450	1.882	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2170	0.000	1	110.2170	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.6840	0.898	2	108.6840	0.806	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.4300	0.349	2	108.4300	0.122	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	110.0132	1.903	5	109.6716	2.826	7	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.8175	0.651	2	109.6716	2.826	7	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.0620	0.117	2	110.8397	0.206	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.6175	0.637	2	110.8397	0.206	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]FeO)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|O<2>}	C[6](C[6]C[6]FeO)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.7340	0.297	2	110.7340	0.088	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.1045	2.009	2	109.1045	4.036	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>,3|O<2>}	C(C[6]C[6]2C)(H)3	110.5800	0.942	2	110.5800	0.887	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(C[6]C[6]2C)(H)3	109.8305	1.073	2	109.8305	1.151	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8768	4.011	4	109.8513	13.108	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8005	4.156	2	109.8513	13.108	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.3950	0.233	2	110.5217	1.312	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6485	1.954	2	110.5217	1.312	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.7022	1.633	4	109.7022	2.667	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2627	0.756	4	110.2627	0.572	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.6035	1.785	2	110.6035	3.188	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.9520	0.000	1	111.9520	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.7560	0.000	1	108.7560	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	110.0150	2.206	2	110.0150	4.867	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	107.4530	0.000	1	107.4530	0.000	1	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.4940	0.000	1	108.4927	0.004	3	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.4920	0.092	2	108.4927	0.004	3	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.7030	0.494	2	110.7030	0.244	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.5605	1.323	2	109.5605	1.750	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.6535	0.700	4	109.8415	2.130	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.0295	2.094	4	109.8415	2.130	8	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.7655	3.529	2	110.7655	12.455	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.2050	3.043	2	110.1952	4.954	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1090	2.213	2	110.1952	4.954	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,1|S<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.2715	3.253	2	110.1952	4.954	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.2785	1.049	2	110.1925	0.916	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.1495	1.073	4	110.1925	0.916	6	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.8718	1.244	6	109.6285	1.268	24	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.5413	1.143	12	109.6285	1.268	24	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.5597	1.146	6	109.6285	1.268	24	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.4995	1.804	2	109.4995	3.254	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.7460	0.960	2	110.7460	0.922	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4600	3.276	4	110.5578	7.404	30	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.5522	2.860	6	110.5578	7.404	30	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.6453	2.721	12	110.5578	7.404	30	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.3862	3.053	6	110.5578	7.404	30	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.7600	3.630	2	110.5578	7.404	30	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.7250	1.837	2	109.7250	3.375	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]RuC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Ru<10>,1|O<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8015	0.650	2	109.8015	0.422	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.2345	3.174	2	110.2345	10.076	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4350	3.173	4	110.4350	10.069	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.8750	0.715	3	110.4400	0.628	12	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.9873	0.800	6	110.4400	0.628	12	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9103	0.334	3	110.4400	0.628	12	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	113.1373	0.648	3	112.9047	1.947	12	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	112.6125	1.963	6	112.9047	1.947	12	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	113.2567	0.362	3	112.9047	1.947	12	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.9427	0.919	4	109.9427	0.845	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.0355	0.660	2	110.0355	0.435	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(H)3	108.8000	0.829	2	108.8000	0.687	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4942	1.307	4	110.4942	1.708	4	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	111.1500	2.377	2	111.1500	5.652	2	110.0317	2.843	393	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(H)2(I)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3){1|C<4>,4|C<3>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)2(I)	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.0070	1.482	2	110.0070	2.197	2	110.0070	2.197	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5825	2.988	2	108.7927	6.334	3	108.7927	6.334	3	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.2130	0.000	1	108.7927	6.334	3	108.7927	6.334	3	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C[6](N[6]C[6]ReH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|Re<6>,1|H<1>,2|C<4>}	C[6](N[6]C[6]ReH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.2820	0.707	2	109.2820	0.500	2	109.2820	0.500	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]P[6]HH)2(CHHP)(CH3)	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]P[6]HH)2(CHHP)(CH3){1|B<4>,4|C<3>}	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2{1|P<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	108.7142	2.568	4	108.7142	6.595	4	108.7142	6.595	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2{1|C<3>,5|C<4>,5|H<1>}	C(C[6]C[6]3)(H)3	106.0890	0.000	1	106.0890	0.000	1	110.1065	32.281	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3){2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]2C)(H)2{3|C<4>,3|O<2>,5|H<1>}	C(C[6]C[6]3)(H)3	114.1240	0.000	1	114.1240	0.000	1	110.1065	32.281	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2	C(C[6]C[6]3)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]2C)(H)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6]3)(H)3	107.8440	0.000	1	107.8440	0.000	1	107.7870	0.679	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	107.9890	0.000	1	107.9890	0.000	1	107.7870	0.679	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	C(C[6]C[6]3)(H)3	108.6470	0.000	1	108.6470	0.000	1	107.7870	0.679	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[6]3)(H)3	106.6680	0.000	1	106.6680	0.000	1	107.7870	0.679	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C(C[6]C[6]2N[6])(H)3	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C(C[6]C[6]2P)(H)3	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2P)(H)3	111.0408	1.531	4	111.0408	2.344	4	111.0769	1.240	7	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C(C[6]C[6]2P)(H)3	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2P)(H)3	111.0010	0.553	2	111.0010	0.306	2	111.0769	1.240	7	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C(C[6]C[6]2P)(H)3	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C(C[6]C[6]2P)(H)3	111.3730	0.000	1	111.3730	0.000	1	111.0769	1.240	7	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.3981	1.033	16	110.2483	2.176	68	111.1223	2.510	221	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.2022	1.592	52	110.2483	2.176	68	111.1223	2.510	221	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	112.0068	0.993	58	112.0068	0.987	58	111.1223	2.510	221	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.2970	1.090	8	111.4478	0.865	20	111.1223	2.510	221	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.5484	0.843	12	111.4478	0.865	20	111.1223	2.510	221	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.9653	0.956	13	111.9653	0.914	13	111.1223	2.510	221	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.9715	1.867	62	110.9715	3.485	62	111.1223	2.510	221	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:P[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(P[6]C[6]IrC)(CH3)2	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]P[6]CC)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](C[6]C[6,6]HH)(P[6]C[6]IrC)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]P[6]CC)(H)2{2|H<1>,5|C<4>}	C(C[6]C[6]P[6]C)(H)3	110.3215	0.359	2	110.3215	0.129	2	110.3215	0.129	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:S[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{1|C<3>,1|N<2>,2|O<1>}	C(C[6]C[6]S[6]C)(H)3	112.2610	2.099	2	112.2610	4.405	2	112.2610	4.405	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:Si[6]-4:C-4:C-4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2	C(C[6]Si[6]C[6]C)(H)3	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2{1|C<3>,3|C<4>}	C(C[6]Si[6]C[6]C)(H)3	106.7645	0.394	2	106.7645	0.155	2	106.7645	0.155	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2	C(C[6]N[3,6]C[6]C)(H)3	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]N[3,6]C[6]C)(H)3	110.2602	2.424	8	110.2602	5.874	8	110.2602	5.874	8	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]N[5,6]C[6]C)(H)3	111.2512	1.585	4	111.2512	2.513	4	111.2512	2.513	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)2	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	C(C[6]N[6,6]C[6]C)(H)3	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)2{1|N<4>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,1|C<5>,2|C<4>}	C(C[6]N[6,6]C[6]C)(H)3	109.8905	2.883	2	109.8905	8.311	2	109.8905	8.311	2	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	106.9525	1.773	8	107.1848	2.381	40	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<4>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	107.2429	1.506	32	107.1848	2.381	40	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]Cu2)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]Cu2)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Cu<2>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.7662	1.329	12	108.7662	1.766	12	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.4922	0.460	4	110.4922	0.211	4	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.4419	1.134	32	108.4537	1.288	36	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<7>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.5485	1.312	4	108.4537	1.288	36	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.2439	1.269	12	110.1564	1.346	48	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.0901	1.144	28	110.1564	1.346	48	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.2572	1.188	8	110.1564	1.346	48	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiO)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,1|O<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.6959	1.569	8	109.6959	2.461	8	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.7387	0.967	4	108.6009	0.731	19	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|Zn<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.3845	0.998	4	108.6009	0.731	19	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|Zn<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.6295	0.843	11	108.6009	0.731	19	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]Mg2)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]Mg2)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Mg<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	108.2037	1.168	4	108.2037	1.364	4	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]NiO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]NiO)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.4948	1.764	40	110.4948	3.110	40	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.6612	1.859	4	109.6612	3.454	4	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CH3)2{1|C<5>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Sm<10>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	109.5570	1.283	2	109.5570	1.645	2	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	110.7633	1.095	38	110.7633	1.199	38	109.3598	3.291	255	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	P-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(CH3)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	C(C[6]C[6]2P)(H)3	C[6](PC[6a]C[6]Au)(C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2P)(H)3	109.9090	0.590	4	109.9090	0.348	4	109.9090	0.348	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|P<4>,1|S<1>,2|C<4>}	C(C[6]C[6]P[6]C)(H)3	110.2458	1.796	4	110.2458	3.227	4	110.2458	3.227	4	109.7063	3.462	1900	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(NC)(H)2	107.2024	0.621	5	107.2218	0.311	6	107.2218	0.311	6	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(NC)(H)2	107.3190	0.000	1	107.2218	0.311	6	107.2218	0.311	6	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	107.3580	1.243	6	107.3580	1.546	6	108.8747	3.485	26	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	108.0385	0.161	2	108.5550	1.702	5	108.8747	3.485	26	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	108.8993	1.717	3	108.5550	1.702	5	108.8747	3.485	26	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	109.6445	1.912	4	109.2237	2.671	13	108.8747	3.485	26	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	109.0367	1.584	9	109.2237	2.671	13	108.8747	3.485	26	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	113.6350	0.000	1	111.9560	5.638	2	108.8747	3.485	26	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	110.2770	0.000	1	111.9560	5.638	2	108.8747	3.485	26	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.3495	1.455	2	109.3495	2.116	2	109.3495	2.116	2	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FH)2(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(OC)(H)2	108.7525	0.302	2	108.7525	0.091	2	109.0863	0.172	6	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]FH)2(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.2532	0.380	4	109.2532	0.144	4	109.0863	0.172	6	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(NC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NC)(H)2	108.1007	1.408	3	108.1007	1.982	3	107.5753	2.621	6	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(NC)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<2>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NC)(H)2	107.0500	1.934	3	107.0500	3.741	3	107.5753	2.621	6	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(OC)(H)2	104.4380	0.000	1	104.4380	0.000	1	108.2962	6.330	11	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(OS)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OS)(H)2	108.0520	0.393	2	108.0520	0.155	2	108.2962	6.330	11	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.3615	1.870	2	109.3615	3.498	2	108.2962	6.330	11	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(OSi)(H)2	105.6220	0.000	1	105.6220	0.000	1	108.2962	6.330	11	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	106.4680	0.000	1	106.4680	0.000	1	108.2962	6.330	11	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.9758	2.620	4	109.9758	6.865	4	108.2962	6.330	11	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6a]2Mo)(CHHO)	C[6](C[6]C[6]CP)2(H)2	C(C[6]C[6]2P)(OC)(H)2	C[6](C[6]C[6]HH)2(PC[6a]2Mo)(CHHO){2|P<4>,3|C<4>}	C[6](C[6]C[6]CP)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2P)(OC)(H)2	107.4627	2.620	6	107.4627	6.867	6	107.4627	6.867	6	108.3933	3.720	63	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(CCHH)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]2)(CNO)(H)2	C[6](C[5]C[5]2Ti)(C[6]C[6]HH)2(CCHH){3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ti<12>,3|C<4>,4|H<1>}	C(C[6]C[5]C[6]2)(CNO)(H)2	108.0455	3.070	2	108.0455	9.422	2	108.0455	9.422	2	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[5]C[5]2Ru)(C[6]C[6]HH)2(CC[6]HH)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	C[6](C[5]C[5]2Ru)(C[6]C[6]HH)2(CC[6]HH){3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	108.7315	2.852	2	108.7315	8.133	2	108.7315	8.133	2	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(NCH)(H)2	107.2900	0.038	2	107.8882	0.483	4	108.9615	4.588	8	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(NCH)(H)2	108.4865	0.131	2	107.8882	0.483	4	108.9615	4.588	8	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	109.2880	4.376	2	109.2880	19.146	2	108.9615	4.588	8	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NHP)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(NHP)(H)2	110.7815	0.269	2	110.7815	0.073	2	108.9615	4.588	8	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CNO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CNO)(H)2	109.6271	1.925	24	109.6271	3.704	24	109.5084	3.638	84	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	109.4697	1.921	56	109.4697	3.690	56	109.5084	3.638	84	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	109.3370	2.104	4	109.3370	4.427	4	109.5084	3.638	84	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(NOO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NOO)(H)2	103.4640	0.000	1	103.4640	0.000	1	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(NOO)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(NOO)(H)2	103.7130	0.000	1	103.7130	0.000	1	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	106.8310	0.000	1	106.8310	0.000	1	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(NCH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NCH)(H)2	109.3879	1.509	36	109.3879	2.276	36	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(NC[6a]H)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	108.5820	1.471	2	108.5820	2.163	2	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	109.9505	1.740	2	109.9505	3.028	2	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(NCH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NCH)(H)2	107.1680	1.831	3	107.5443	2.801	4	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(NCH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NCH)(H)2	108.6730	0.000	1	107.5443	2.801	4	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(NHN)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NHN)(H)2	108.3840	0.000	1	108.3840	0.000	1	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	107.1710	1.381	3	107.1710	1.907	3	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(NCH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NCH)(H)2	107.9410	1.752	3	107.7710	2.161	4	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(NCH)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NCH)(H)2	107.2610	0.000	1	107.7710	2.161	4	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(NHN)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NHN)(H)2	107.0260	0.000	1	107.0260	0.000	1	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	110.4177	3.349	3	110.4177	11.216	3	108.7877	3.949	59	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-3:H-1:H-1:	C[6](C[6]P[6]HH)2(CHHP)(CH3)	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(PC[6a]2)(H)2	C[6](C[6]P[6]HH)2(CHHP)(CH3){1|B<4>,4|C<3>}	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2{1|P<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(PC[6a]2)(H)2	111.2735	1.464	2	111.2735	2.145	2	111.2735	2.145	2	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2N)(COO)(H)2	112.1478	1.400	4	112.1478	1.961	4	112.1478	1.961	4	109.2611	4.094	162	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:O-2:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	109.3690	0.091	2	109.3690	0.008	2	109.3690	0.008	2	109.1568	2.686	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6]C[6]FH)2(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(CNO)(OC)(H)	C[6](C[6]C[6]FH)2(CCHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(CNO)(OC)(H)	108.9445	2.805	2	108.9445	7.869	2	108.9445	7.869	2	109.1568	2.686	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C-3:N-3:H-1:	C[6](C[6]C[6]FH)2(CCHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(CNO)(NCC)(H)	C[6](C[6]C[6]FH)2(CCHN)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(CNO)(NCC)(H)	109.1550	2.941	8	109.1550	8.649	8	109.1550	8.649	8	108.9555	6.927	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:3:3:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N-3:C-3:H-1:	C[6](C[6]C[6]FH)2(CCHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	C[6](C[6]C[6]FH)2(CCHN)(CH3){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	108.1575	0.456	2	108.1575	0.208	2	108.1575	0.208	2	108.9555	6.927	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	112.1520	0.000	1	110.3060	6.815	2	109.3727	3.021	11	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	108.4600	0.000	1	110.3060	6.815	2	109.3727	3.021	11	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{3|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CH3)(H)2	111.1990	0.000	1	111.5365	0.228	2	109.3727	3.021	11	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CH3)(H)2	111.8740	0.000	1	111.5365	0.228	2	109.3727	3.021	11	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	110.5680	0.000	1	110.5680	0.000	1	109.3727	3.021	11	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	108.5787	0.093	3	108.5787	0.009	3	109.3727	3.021	11	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CH3)(H)2	107.7037	0.425	3	107.7037	0.181	3	109.3727	3.021	11	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CCHH)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	C[6](C[5]C[5]2Zr)(C[6]C[6]HH)2(CCHH){3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	C(C[6]C[5]C[6]2)(CCHH)(H)2	110.0920	0.626	2	110.0920	0.392	2	109.7957	0.356	6	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)2(CCHH){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5]C[6]2)(CCHH)(H)2	109.6475	0.612	4	109.6475	0.374	4	109.7957	0.356	6	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	106.4560	0.000	1	106.4560	0.000	1	107.1497	0.361	3	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(NH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(NH3)(H)2	107.4965	0.019	2	107.4965	0.000	2	107.1497	0.361	3	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	As[6]-4:C[6]-4:H-1:H-1:	C[6]-4:As-4:H-1:H-1:	C[6](C[6]As[6]HH)2(CAsHH)(CH3)	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(AsGaCC)(H)2	C[6](C[6]As[6]HH)2(CAsHH)(CH3){1|Ga<4>,4|C<4>}	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2{1|As<4>,2|Cl<1>,2|H<1>}	C(C[6]C[6]2C)(AsGaCC)(H)2	108.0720	0.379	2	108.0720	0.144	2	108.0720	0.144	2	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2C)(CHHO)(H)2	109.9067	1.898	3	109.9067	3.602	3	109.9067	3.602	3	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	C(C[6]C[6]2C)(CHHO)(H)2	108.5037	0.748	3	108.5037	0.559	3	108.5037	0.559	3	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2C)(CCHO)(H)2	107.6300	0.000	1	107.6300	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	108.2840	0.000	1	108.2840	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CCHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHO)(H)2	104.8295	0.578	2	104.8295	0.334	2	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	110.5310	0.000	1	111.9528	0.787	5	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	112.3083	0.455	4	111.9528	0.787	5	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	110.0320	0.000	1	110.0320	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	102.9490	0.000	1	104.6900	5.254	3	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	103.8340	0.000	1	104.6900	5.254	3	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	107.2870	0.000	1	104.6900	5.254	3	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(H)2	107.9400	0.000	1	107.9400	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	108.6790	0.000	1	108.6790	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	112.8390	0.000	1	112.8390	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	114.4340	0.000	1	114.4340	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.8180	0.000	1	109.8180	0.000	1	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHN)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHN)(H)2	109.5970	3.346	2	109.5970	11.196	2	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2	C(C[6]C[6]2C)(CHSS)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHSS)(H)2	108.4260	3.302	2	108.4260	10.904	2	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	C[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CHHS)(H)2	109.3530	1.991	4	109.3530	3.962	4	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CSeHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CSeHH)(H)2	109.3445	2.340	4	109.3445	5.475	4	109.1328	8.619	30	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	107.8450	0.222	2	107.8450	0.049	2	107.5490	0.287	3	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	106.9570	0.000	1	106.9570	0.000	1	107.5490	0.287	3	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NH3)(H)2	108.9784	2.463	40	108.9784	6.068	40	108.9038	6.130	42	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NH3)(H)2	109.6480	0.000	1	109.6480	0.000	1	108.9038	6.130	42	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C[6](C[6]C[6]CC)2(H)2	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NH3)(H)2	105.1760	0.000	1	105.1760	0.000	1	108.9038	6.130	42	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:P-4:H-1:H-1:	C[6](C[6]P[6]HH)2(CHHP)(CH3)	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(PC[6a]2O)(H)2	C[6](C[6]P[6]HH)2(CHHP)(CH3){1|B<4>,4|C<3>}	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2{1|P<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(PC[6a]2O)(H)2	108.2070	0.141	2	108.2070	0.020	2	108.2070	0.020	2	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:N-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCHH)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(NCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C(C[6]C[6]2N)(CCHH)(H)2	110.2378	0.885	4	110.2378	0.784	4	110.2378	0.784	4	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH)	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H)	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]O[6]HH)(Br)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	105.1650	0.000	1	105.1650	0.000	1	105.1650	0.000	1	108.9802	5.461	110	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	107.4787	8.549	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CClHH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	C(C[6]C[6]2C)(CClHH)(OH)(H)	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	107.4787	8.549	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	104.5760	0.509	5	104.5760	0.259	5	104.5760	0.259	5	107.4787	8.549	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CClHH)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CClHH)(OH)(H)	108.0070	0.000	1	108.0070	0.000	1	108.2310	0.895	3	107.4787	8.549	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CHHO)(OH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHHO)(OH)(H)	109.2690	0.000	1	109.2690	0.000	1	108.2310	0.895	3	107.4787	8.549	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(CCHH)(OC)(H)	107.4170	0.000	1	107.4170	0.000	1	108.2310	0.895	3	107.4787	8.549	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	C(C[6]C[6]2S)(CCCH)(OH)(H)	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C(C[6]C[6]2S)(CCCH)(OH)(H)	111.6460	1.389	2	111.6460	1.929	2	111.6460	1.929	2	107.4787	8.549	12	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C(C[6]C[6]2C)(CH3)2(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)2(H)	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[4]C[6]2)(H)3	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	108.9100	2.061	2	108.9100	4.246	2	108.9100	4.246	2	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	108.1400	1.464	2	108.1400	2.142	2	109.8695	3.105	11	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.5480	0.000	1	111.5480	0.000	1	109.8695	3.105	11	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.8600	0.000	1	110.8600	0.000	1	109.8695	3.105	11	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.9206	2.043	5	109.9206	4.176	5	109.8695	3.105	11	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.1370	1.505	2	110.1370	2.264	2	109.8695	3.105	11	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2{1|H<1>,2|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.7705	0.022	2	109.7705	0.000	2	109.7705	0.000	2	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1497	0.878	8	109.1497	0.770	8	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9738	1.446	10	108.9738	2.091	10	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.6240	0.000	1	109.8750	0.325	6	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.9252	0.622	5	109.8750	0.325	6	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.5470	0.000	1	110.5470	0.000	1	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.2710	0.140	2	110.2710	0.020	2	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.0917	1.926	34	109.2997	5.075	120	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4425	1.339	2	109.2997	5.075	120	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6926	3.763	8	109.2997	5.075	120	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.5660	2.592	2	109.2997	5.075	120	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4769	2.238	74	109.2997	5.075	120	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.5695	2.415	6	109.5695	5.831	6	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4110	1.631	2	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4675	0.965	2	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.0977	1.454	58	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4035	1.343	2	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.4099	3.311	10	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8605	2.351	2	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4707	1.975	12	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.2115	0.069	2	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1675	1.918	112	109.1232	3.443	202	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.0975	3.125	2	109.0975	9.764	2	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4910	1.809	6	109.4910	3.271	6	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.3420	3.084	2	108.7056	2.057	19	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6308	1.290	17	108.7056	2.057	19	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.9130	0.000	1	108.9130	0.000	1	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	107.3522	0.389	4	107.3522	0.151	4	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.2290	0.000	1	108.7679	2.375	10	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.8278	1.622	9	108.7679	2.375	10	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.2905	0.070	2	111.2905	0.005	2	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6160	1.240	2	111.6160	1.538	2	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9420	1.237	4	110.9420	1.529	4	109.1992	3.727	405	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SC[6a])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4055	0.757	2	109.4055	0.574	2	109.4055	0.574	2	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SeC[6a])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.1180	1.447	2	110.1180	2.093	2	110.1180	2.093	2	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[4,6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,7|C<4>}	C(C[6]C[6,6]C[6]2)(H)3	107.2110	0.472	4	107.2110	0.223	4	106.8685	0.420	6	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H)	C(C[6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6]2)(H)3	106.1835	0.146	2	106.1835	0.021	2	106.8685	0.420	6	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.7550	1.911	4	109.7550	3.652	4	109.7550	3.652	4	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.7960	0.624	2	109.7960	0.389	2	109.7960	0.389	2	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.2587	1.382	4	110.2587	1.910	4	110.3722	1.608	6	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	110.5990	1.468	2	110.5990	2.155	2	110.3722	1.608	6	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	108.5975	0.894	4	108.5975	0.800	4	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.5880	0.683	2	108.6295	0.259	6	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.6502	0.524	4	108.6295	0.259	6	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.2232	0.491	4	108.2232	0.241	4	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4285	0.508	2	109.4285	0.258	2	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.2335	2.283	2	111.2335	5.213	2	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	109.0275	1.054	2	109.0275	1.112	2	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	109.7185	0.612	2	109.6330	0.204	4	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	C(C[6]C[6]2C)(H)3	109.5475	0.456	2	109.6330	0.204	4	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.5245	1.139	2	109.5245	1.298	2	109.0777	1.166	26	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.6175	1.450	2	110.6175	2.103	2	110.6175	2.103	2	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.3360	0.000	1	111.3360	0.000	1	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.7815	0.555	4	108.7815	0.308	4	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.4960	1.393	2	109.4960	1.940	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.3787	0.547	7	110.3787	0.300	7	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.7060	0.000	1	108.7060	0.000	1	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.6890	3.082	2	109.6890	9.496	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6970	2.850	2	110.6970	8.120	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.3260	3.229	2	111.3260	10.424	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.6510	0.000	1	108.6510	0.000	1	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.6200	0.000	1	109.0240	5.094	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	107.4280	0.000	1	109.0240	5.094	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.8605	1.933	2	108.8605	3.735	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.2010	0.000	1	111.2010	0.000	1	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|B<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.2755	0.353	2	109.2755	0.125	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.1840	4.388	2	110.1840	19.257	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.5195	0.842	2	111.5195	0.709	2	109.9338	2.830	33	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(SC[6a])(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.6230	2.782	4	110.6230	7.741	4	110.6230	7.741	4	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(C[6]O[6]2H)(CH3){2|H<1>,5|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]3)(H)3	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H)	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	112.5955	2.010	2	112.5955	4.041	2	112.5955	4.041	2	109.2917	3.574	511	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	112.7620	0.000	1	112.7620	0.000	1	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	111.6722	0.937	4	111.6722	0.879	4	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	109.6510	0.000	1	108.8295	1.350	2	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	108.0080	0.000	1	108.8295	1.350	2	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	110.2209	1.390	8	110.2209	1.932	8	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OSi)(H)2	107.4520	0.283	2	107.4520	0.080	2	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	107.2710	1.105	2	107.2710	1.220	2	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	106.8088	1.295	4	106.8088	1.677	4	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2{1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	109.1640	1.616	2	109.1640	2.613	2	109.3554	4.501	25	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OH)(H)2	109.9080	0.000	1	109.9080	0.000	1	110.3922	6.507	5	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2	C[6](C[6]C[6]CC)2(OH)(H)	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OH)(H)2	110.5132	2.929	4	110.5132	8.578	4	110.3922	6.507	5	109.5282	4.777	30	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6]O)(H)2	106.0290	0.000	2	106.0290	0.000	2	106.0290	0.000	2	106.0290	0.000	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	110.0320	0.000	1	110.0320	0.000	1	110.0320	0.000	1	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.5050	0.000	1	109.0213	0.652	3	108.4492	1.032	9	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	108.7795	0.977	2	109.0213	0.652	3	108.4492	1.032	9	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	108.7910	0.578	3	108.7910	0.334	3	108.4492	1.032	9	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	108.7650	0.000	1	108.7650	0.000	1	108.4492	1.032	9	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	106.9205	0.425	2	106.9205	0.181	2	108.4492	1.032	9	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(H)2	107.3773	3.553	3	107.3773	12.624	3	109.4050	7.696	10	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	108.3600	0.000	2	108.3600	0.000	2	109.4050	7.696	10	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	110.3620	0.000	1	110.3620	0.000	1	109.4050	7.696	10	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	110.6360	0.000	1	110.6360	0.000	1	109.4050	7.696	10	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	114.2720	0.000	1	114.2720	0.000	1	109.4050	7.696	10	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	109.9640	1.660	2	109.9640	2.757	2	109.4050	7.696	10	109.0062	4.366	20	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	110.8908	28.365	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	114.6930	0.000	1	114.6930	0.000	1	111.2550	24.531	3	110.8908	28.365	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	105.5780	0.000	1	105.5780	0.000	1	111.2550	24.531	3	110.8908	28.365	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	113.4940	0.000	1	113.4940	0.000	1	111.2550	24.531	3	110.8908	28.365	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)2(OH)(H)	104.7140	0.000	1	104.7140	0.000	1	104.7140	0.000	1	110.8908	28.365	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:2:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-2:O-2:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	110.7760	0.107	2	110.7760	0.012	2	110.7760	0.012	2	110.7760	0.012	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:O-2:C-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2{2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.8575	0.777	2	109.8575	0.604	2	109.8575	0.604	2	108.9853	1.240	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-2:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.1130	0.270	2	108.1130	0.073	2	108.1130	0.073	2	108.9853	1.240	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H)	C(C[6]C[5,5,6,6]C[6]C)(H)3	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H){2|C<4>,3|C<3>}	C(C[6]C[5,5,6,6]C[6]C)(H)3	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.0550	0.000	1	108.0550	0.000	1	110.9356	3.873	9	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	110.0575	0.090	2	110.0575	0.008	2	110.9356	3.873	9	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.2100	0.000	1	112.4283	0.059	3	110.9356	3.873	9	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.5375	0.214	2	112.4283	0.059	3	110.9356	3.873	9	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.0440	0.000	1	112.0440	0.000	1	110.9356	3.873	9	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]O)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4605	3.557	2	110.4605	12.655	2	110.9356	3.873	9	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.6425	3.566	2	108.6425	12.716	2	109.5693	1.984	20	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4523	1.197	6	109.4523	1.432	6	109.5693	1.984	20	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.4035	2.577	2	109.4035	6.643	2	109.5693	1.984	20	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.1750	1.834	2	109.1750	3.364	2	109.5693	1.984	20	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Co<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCoC)(H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6,6]C[6]C)(H)3	110.1490	0.949	2	110.1490	0.900	2	109.5693	1.984	20	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Cr<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NCrC)(H){1|Cr<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.7075	0.375	4	109.7075	0.141	4	109.5693	1.984	20	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Ni<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]CC)(NNiC)(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6,6]C[6]C)(H)3	110.5510	1.286	2	110.5510	1.653	2	109.5693	1.984	20	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCO)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	108.9430	1.366	4	108.9430	1.865	4	108.9430	1.865	4	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	113.3780	0.000	1	113.3780	0.000	1	113.3780	0.000	1	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2{2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	111.2370	3.599	4	111.2370	12.954	4	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	109.9103	1.220	3	109.9103	1.488	3	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H){3|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.9330	0.301	2	110.9330	0.091	2	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9480	2.233	2	110.9480	4.986	2	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.9470	0.529	2	109.9470	0.280	2	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(COO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2C)(H)3	111.3875	0.121	2	111.3875	0.015	2	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.1690	0.000	1	111.1690	0.000	1	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.5560	0.000	1	110.5560	0.000	1	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	109.5220	2.729	2	109.5220	7.450	2	110.6252	3.495	19	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.8780	3.217	2	110.8780	10.351	2	110.8780	10.351	2	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	C(C[6]C[6]3)(H)3	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	110.2041	3.240	58	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H)	C(C[6]C[5,5,6,6]C[6]C)(CC[6]H)(H)2	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,5,6,6]CC)(C[6]C[5,6,6]HH)(CC[6]C)(H){2|C<4>,3|C<3>}	C(C[6]C[5,5,6,6]C[6]C)(CC[6]H)(H)2	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	110.2740	5.289	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	113.6740	0.000	1	113.6740	0.000	1	110.4687	7.706	3	110.2740	5.289	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H)	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[6]C)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	108.8660	0.024	2	108.8660	0.001	2	110.4687	7.706	3	110.2740	5.289	4	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	110.3700	0.000	1	109.4860	0.604	3	109.5605	0.425	4	110.1533	2.290	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.0440	0.190	2	109.4860	0.604	3	109.5605	0.425	4	110.1533	2.290	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.7840	0.000	1	109.7840	0.000	1	109.5605	0.425	4	110.1533	2.290	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHO)(H)2	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	110.1533	2.290	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	110.3900	0.736	3	110.3900	0.541	3	109.8706	0.802	5	110.1533	2.290	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	108.8660	0.000	1	108.8660	0.000	1	109.8706	0.802	5	110.1533	2.290	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.3170	0.000	1	109.3170	0.000	1	109.8706	0.802	5	110.1533	2.290	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C[6]-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(CC[5,6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.8088	1.157	6	110.9281	1.449	8	111.1022	2.298	10	111.1022	2.298	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.2860	1.762	2	110.9281	1.449	8	111.1022	2.298	10	111.1022	2.298	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.7985	3.054	2	111.7985	9.327	2	111.1022	2.298	10	111.1022	2.298	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:3:3:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	112.1225	1.285	2	112.1225	1.651	2	112.1225	1.651	2	112.1225	1.651	2	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	108.0740	1.237	2	108.0740	1.531	2	108.0740	1.531	2	110.1718	4.201	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	111.8855	0.077	2	111.8855	0.006	2	111.8855	0.006	2	110.1718	4.201	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.1718	4.201	5	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	3:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	109.3140	0.000	1	109.3140	0.000	1	109.3140	0.000	1	109.3140	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[3,6]C[6]C)(H)3	110.9000	0.000	1	110.9000	0.000	1	110.4007	4.219	3	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CC[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	110.1510	2.840	2	110.1510	8.064	2	110.4007	4.219	3	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H)	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[5,6,6]C[6]C)(H)3	109.5700	0.733	2	109.5700	0.537	2	109.5700	0.537	2	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	111.3395	4.279	2	111.4045	11.449	4	111.4045	11.449	4	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	111.4695	4.003	2	111.4045	11.449	4	111.4045	11.449	4	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.5225	0.018	2	111.6650	0.061	3	110.9875	0.717	17	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.9500	0.000	1	111.6650	0.061	3	110.9875	0.717	17	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	111.0504	0.531	10	111.0504	0.282	10	110.9875	0.717	17	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.6890	0.000	1	110.6890	0.000	1	110.9875	0.717	17	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	112.1070	0.000	1	112.1070	0.000	1	110.9875	0.717	17	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	109.2465	0.046	2	109.2465	0.002	2	110.9875	0.717	17	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[5]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5]C[5]O[5]H)(C[6]C[6]CH)(CH3){6|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[5]C[6])(H)3	111.6863	0.498	3	111.6863	0.248	3	111.2622	0.885	4	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[5]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5]O[5]2H)(C[6]C[6]CH)(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[5]C[6])(H)3	109.9900	0.000	1	109.9900	0.000	1	111.2622	0.885	4	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	111.0820	0.000	1	111.0820	0.000	1	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.3440	0.000	1	111.0030	2.083	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.8325	0.194	2	111.0030	2.083	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	110.0310	0.362	3	110.0310	0.131	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	111.6140	0.335	2	111.6140	0.112	2	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.5413	0.228	3	109.5413	0.052	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	110.5380	0.000	2	110.7213	0.101	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	111.0880	0.000	1	110.7213	0.101	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CC)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.6842	1.433	6	109.6842	2.053	6	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	108.6010	2.215	2	108.6010	4.905	2	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.5148	1.960	4	109.3541	2.367	14	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	109.0680	1.356	6	109.3541	2.367	14	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.6227	1.749	4	109.3541	2.367	14	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CC[5]HH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	109.1625	1.906	6	109.1625	3.634	6	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.4250	0.000	1	112.4250	0.000	1	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.4675	1.149	2	113.4675	1.320	2	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9130	0.000	1	110.9130	0.000	1	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.5220	0.634	2	110.5982	1.799	15	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.9400	0.000	1	110.5982	1.799	15	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.9057	0.926	6	110.5982	1.799	15	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.6920	0.000	1	110.5982	1.799	15	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.5726	1.442	5	110.5982	1.799	15	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	108.3580	0.000	1	108.3580	0.000	1	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	115.0730	0.000	1	115.0730	0.000	1	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.8055	0.521	2	110.7093	2.587	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	112.5170	0.000	1	110.7093	2.587	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.3153	0.549	3	111.3153	0.302	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	111.7738	0.553	6	111.7738	0.306	6	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	111.4395	1.266	2	111.4787	0.627	4	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	111.5180	0.520	2	111.4787	0.627	4	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4825	2.889	2	110.4510	6.608	4	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.4195	3.388	2	110.4510	6.608	4	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	110.5593	2.732	4	110.5593	7.464	4	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	113.4173	1.080	3	113.4173	1.165	3	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|I<1>,3|C<3>}	C(C[6]C[6,6]C[6]C)(H)3	110.8590	0.733	2	110.8590	0.537	2	110.5458	3.105	93	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	111.4770	0.665	2	111.4770	0.442	2	111.4770	0.442	2	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]2)(H)3	110.4195	0.456	4	110.5548	0.172	6	110.5548	0.172	6	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O[6]H)(C[6]C[6]CH)(CH3){3|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]2)(H)3	110.8255	0.139	2	110.5548	0.172	6	110.5548	0.172	6	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)(H)3	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	112.4485	0.759	2	112.4485	0.576	2	111.3679	5.620	14	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(CCHH)(H){3|C<4>,6|H<1>}	C(C[6]C[6]2C)(H)3	111.0503	2.006	4	111.0503	4.023	4	111.3679	5.620	14	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.2665	3.335	2	110.2665	11.125	2	111.3679	5.620	14	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	111.4970	3.697	2	111.5865	8.766	6	111.3679	5.620	14	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	111.6312	3.170	4	111.5865	8.766	6	111.3679	5.620	14	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	111.3005	0.182	2	111.3005	0.033	2	111.3005	0.033	2	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	112.0827	0.672	6	111.9161	0.570	7	111.8599	0.514	8	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.9170	0.000	1	111.9161	0.570	7	111.8599	0.514	8	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.4660	0.000	1	111.4660	0.000	1	111.8599	0.514	8	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:F-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(F)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(F)(H)2	108.3095	0.078	2	108.3095	0.006	2	108.3095	0.006	2	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	111.8092	2.039	4	111.8482	2.879	6	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.9260	1.382	2	111.8482	2.879	6	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	113.3447	1.771	6	113.3359	2.753	8	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	113.3095	1.894	2	113.3359	2.753	8	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	114.2033	0.591	3	114.2033	0.350	3	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){4|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.2073	0.596	4	111.2073	0.355	4	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.4610	0.000	1	110.4610	0.000	1	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	111.9960	1.457	2	111.9960	2.122	2	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6]2C)(H)3	112.0590	2.577	2	111.6830	11.642	8	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C(C[6]C[6]2C)(H)3	111.9020	4.752	2	111.6830	11.642	8	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){1|O<2>,3|C<4>,7|H<1>}	C(C[6]C[6]2C)(H)3	111.6550	5.044	2	111.6830	11.642	8	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHHO)(H){2|O<2>,3|C<4>,6|H<1>}	C(C[6]C[6]2C)(H)3	111.1160	5.080	2	111.6830	11.642	8	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]CC)(CHHO)(H){1|O<2>,2|C<4>,8|H<1>}	C(C[6]C[6]2C)(H)3	111.4690	2.725	2	111.4690	7.427	2	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(H)3	112.7210	0.948	2	112.7210	0.898	2	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	112.1735	5.115	2	112.1735	26.158	2	112.2594	5.062	38	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.2090	2.974	2	111.2090	8.845	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.3518	2.764	4	111.3518	7.640	4	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	109.9680	0.000	1	109.9680	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2C)(H)3	111.7095	0.036	2	111.7095	0.001	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	108.7160	0.000	1	108.7160	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	113.3430	0.000	1	113.3430	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	110.9330	1.160	2	110.9330	1.345	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	112.0960	3.924	2	112.0960	15.401	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]CC)2(CHHN)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(CHHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	111.3240	3.989	2	111.3240	15.916	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	110.4730	0.000	1	110.4730	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)2(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	109.9340	0.000	1	109.9340	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|I<1>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.4110	3.345	2	110.4110	11.186	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.6305	4.119	2	111.6305	16.965	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.8915	4.905	2	111.8915	24.061	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2C)(H)3	114.1420	0.000	1	114.1420	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.9350	0.000	1	111.9350	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.3390	0.000	1	111.3390	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.9680	0.000	1	111.9680	0.000	1	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.0523	0.284	4	111.0523	0.081	4	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	112.9420	0.810	4	112.9420	0.656	4	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.6575	1.930	2	110.6575	3.724	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	109.8320	0.444	2	109.8320	0.197	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6,6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.0780	4.397	2	111.0780	19.332	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	110.7805	3.620	2	110.7805	13.102	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CC[6a]HH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	111.0705	3.447	2	111.0705	11.883	2	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CFeHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	112.0398	0.548	6	112.0398	0.300	6	111.4092	4.166	53	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H){3|C<4>,4|H<1>}	C(C[6]C[6]3)(H)3	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]3)(H)3	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]2C)(C[6]C[6]HH)(H){5|C<4>,6|H<1>}	C(C[6]C[6]3)(H)3	110.7420	0.000	1	110.7420	0.000	1	109.7605	1.927	2	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6]3)(H)3	108.7790	0.000	1	108.7790	0.000	1	109.7605	1.927	2	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	C(C[6]C[6]2N[6])(H)3	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	C(C[6]C[6]2N[6])(H)3	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	111.1213	3.804	254	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(CN)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CN)(H)2	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	110.4261	3.769	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	108.6230	0.380	2	108.6230	0.145	2	108.3820	0.247	3	110.4261	3.769	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OSi)(H)2	107.9000	0.000	1	107.9000	0.000	1	108.3820	0.247	3	110.4261	3.769	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6]2C)(OC)(H)2	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	110.4261	3.769	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(OS)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2C)(OS)(H)2	111.2800	0.195	2	111.2800	0.038	2	111.2800	0.038	2	110.4261	3.769	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	113.8140	0.000	1	113.8140	0.000	1	112.7130	2.424	2	110.4261	3.769	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C[6](C[6]C[6]CC)2(CHHO)(H)	C(C[6]C[6]2C)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(OSi)(H)2	111.6120	0.000	1	111.6120	0.000	1	112.7130	2.424	2	110.4261	3.769	9	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(CCO)(H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CCO)(H)2	108.3720	0.000	1	108.3720	0.000	1	110.3223	8.927	3	109.4580	2.503	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H)	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[5,6]C[6]C)(CCH)(H)2	111.2975	3.485	2	111.2975	12.148	2	110.3223	8.927	3	109.4580	2.503	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(CCH)(H)2	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.4580	2.503	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	108.2300	0.657	3	108.2300	0.432	3	108.2300	0.432	3	109.4580	2.503	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	109.0847	0.935	4	109.0847	0.874	4	109.0847	0.874	4	109.4580	2.503	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(CCH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCH)(H)2	111.1630	0.000	1	111.1630	0.000	1	111.1630	0.000	1	109.4580	2.503	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)(CC[6]O)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6]O)(H)2	110.0950	0.000	2	110.0950	0.000	2	110.0950	0.000	2	109.4580	2.503	14	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:3:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	111.0030	0.000	1	111.0030	0.000	1	110.6670	0.124	3	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	110.4990	0.281	2	110.4990	0.079	2	110.6670	0.124	3	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	108.7100	0.000	1	108.7100	0.000	1	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	111.0500	0.000	1	111.0500	0.000	1	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	110.2560	0.089	2	110.2560	0.008	2	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	108.5975	0.050	2	108.5975	0.003	2	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]CC)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	110.1420	0.784	3	110.1420	0.615	3	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	111.4300	0.000	2	110.9047	0.828	3	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.8540	0.000	1	110.9047	0.828	3	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.2100	0.000	1	109.2100	0.000	1	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.9860	1.218	2	109.9860	1.483	2	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	109.4330	0.309	5	109.6378	0.373	9	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	108.9150	0.000	1	109.6378	0.373	9	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	110.2200	0.652	3	109.6378	0.373	9	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	109.6410	0.000	1	109.6410	0.000	1	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	109.4915	0.928	2	109.4915	0.862	2	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	111.1185	0.197	2	111.1185	0.039	2	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	109.5820	0.000	1	109.5820	0.000	1	109.8991	0.773	30	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	111.4845	0.267	2	111.4845	0.071	2	111.6837	0.155	3	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O[6]H)(C[6]C[6]CC)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	112.0820	0.000	1	112.0820	0.000	1	111.6837	0.155	3	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(H)2	109.1380	0.000	2	110.8407	8.697	3	111.1648	4.546	5	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(H)2	114.2460	0.000	1	110.8407	8.697	3	111.1648	4.546	5	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)(CHHO)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	111.6510	0.000	2	111.6510	0.000	2	111.1648	4.546	5	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	106.7410	0.000	1	106.7410	0.000	1	108.9857	4.075	3	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(CCHH)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2C)(CCHO)(H)2	110.1080	0.769	2	110.1080	0.592	2	108.9857	4.075	3	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	113.8000	0.000	1	113.8000	0.000	1	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]CC)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	108.8970	0.000	1	108.8970	0.000	1	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]CO)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	104.6330	0.000	1	104.6330	0.000	1	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCCO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.1910	0.000	1	109.1910	0.000	1	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	110.2750	0.000	1	110.2750	0.000	1	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.6080	0.270	2	109.6080	0.073	2	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[5]HO)(H)2	109.2740	0.330	2	109.2740	0.109	2	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	109.1740	0.761	2	109.1740	0.579	2	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C[6](C[6]C[6]CC)2(CCHH)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)2(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CC[5]HO)(H)2	108.5130	1.096	2	108.5130	1.201	2	109.2257	3.876	13	109.9588	2.166	59	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	112.3084	0.818	7	112.3084	0.669	7	112.2455	0.543	11	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	111.9050	0.590	3	111.9050	0.348	3	112.2455	0.543	11	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	112.8270	0.000	1	112.8270	0.000	1	112.2455	0.543	11	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	111.8240	0.000	1	111.8240	0.000	1	108.6847	7.424	3	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	107.2960	0.000	1	107.2960	0.000	1	108.6847	7.424	3	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	106.9340	0.000	1	106.9340	0.000	1	108.6847	7.424	3	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	107.8600	0.000	1	107.8600	0.000	1	107.8600	0.000	1	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H)	C(C[6]C[6]2C)2(OH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2C)2(OH)(H)	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(H){4|C<4>,4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	115.1140	0.547	5	115.1140	0.299	5	115.1140	0.299	5	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]2C)(CCHH)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(OC)(H)	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	112.0537	6.162	22	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	C(C[6]C[3,5,6]C[6]C)(H)3	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3,5,6]C[6]C)(H)3	110.7985	2.903	2	110.7985	8.426	2	110.7985	8.426	2	110.4360	1.749	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	C(C[6]C[5,5,6]C[6]C)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,5,6]C[6]C)(H)3	110.0905	0.989	2	110.0905	0.979	2	110.0905	0.979	2	110.4360	1.749	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	110.5690	0.652	2	110.5690	0.425	2	110.5690	0.425	2	110.4360	1.749	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2{4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	109.7670	0.583	2	109.7670	0.339	2	109.7670	0.339	2	110.4360	1.749	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5]C[5]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6]2C)(H)3	110.9550	1.898	2	110.9550	3.602	2	110.9550	3.602	2	110.4360	1.749	10	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:2:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH)	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	C[6](C[6]C[6]BrH)(C[6]C[6]2O)(C[6]O[6]HH)(CC[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH){1|Br<1>,1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2H)(C[6]C[6]3)(H)2	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:3:	4:3:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO)	C(C[6]C[6,6]C[6]C)(COO)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CH3)(CCO){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6]C)(COO)(H)2	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2	C[6](C[6]C[5,6]CC)2(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2{1|O<2>,3|C<4>}	C[6](C[6]C[5,6]CC)2(CH3)2{2|C<4>,3|O<2>}	C(C[6]C[5,6]C[6]C)(H)3	112.3462	0.738	8	112.3462	0.544	8	112.3462	0.544	8	111.2765	1.347	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)2(CH3)2	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CC)2(CH3)2{2|C<4>,3|O<2>}	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2{1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	110.2315	0.362	8	110.2315	0.131	8	110.2315	0.131	8	111.2765	1.347	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<3>,5|C<4>,5|H<1>}	C(C[6]C[6]3)(H)3	111.5400	0.000	1	111.5400	0.000	1	111.1775	0.263	2	111.2765	1.347	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3)	C(C[6]C[6]3)(H)3	C[6](C[6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|N<3>,5|C<4>,5|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]2C)(C[6]C[6]HH)(CH3){5|C<4>,6|H<1>}	C(C[6]C[6]3)(H)3	110.8150	0.000	1	110.8150	0.000	1	111.1775	0.263	2	111.2765	1.347	18	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	4:4:5:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-5:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CSmH3)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CSmH3)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Sm<10>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712
466	466	490	0:SP3_SP3_SP3	C[6]	C[6]	C	5:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-5:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]C[6]CoHH)(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2	C(C[6]C[6]2H)(CH3)2(H)	C[6](C[6]C[6]CoHH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2{1|H<1>,1|H<2>,2|C<4>}	C(C[6]C[6]2H)(CH3)2(H)	113.3550	0.000	1	113.3550	0.000	1	113.3550	0.000	1	113.3550	0.000	1	111.1557	5.424	21757	111.1335	5.741	33712