466	466	769	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[4a]	3:4:4:4:	4:4:1:1:	3:4:2:	C[4a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[4a]-3:C[3x6]-4:S[4a]-2:	C[3x6](C[4a]C[4a]S[4a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2	C[4a](C[4a]C[3x6]S[4a])(C[3x6]C[6,6]3)(S[4a]S[4a])	C[3x6](C[4a]C[4a]S[4a])(C[6,6]C[3x6]HH)3{1|S<2>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|S<2>,2|C<4>,8|H<1>}	C[4a](C[4a]C[3x6]S[4a])(C[3x6]C[6,6]3)(S[4a]S[4a]){6|C<4>,6|H<1>}	110.7246	1.435	11	110.7246	2.058	11	110.7246	2.058	11	110.7246	2.058	11	110.7246	2.058	11	110.7246	2.058	11
466	466	770	0:SP3_SP2_SP3	C[6,6]	C[6,6]	B	4:4:3:1:	4:4:1:1:	4:4:2:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:	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[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	B(C[6,6]C[6,6]2H)2(OC)	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[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	B(C[6,6]C[6,6]2H)2(OC)	109.0770	1.857	2	109.0770	3.448	2	109.0770	3.448	2	109.0770	3.448	2	112.1690	14.098	4	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6,6]	C[6,6]	B	4:4:3:1:	4:4:4:1:	4:4:2:	C[6,6]-4:C[6,6]-4:B-3:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:	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[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	B(C[6,6]C[6,6]2H)2(OC)	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[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>}	B(C[6,6]C[6,6]2H)2(OC)	115.2610	0.776	2	115.2610	0.603	2	115.2610	0.603	2	115.2610	0.603	2	112.1690	14.098	4	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	3:4:4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(BC[6a]C[6])(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(BC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6a]C[6a]2)(C[6]C[6]2H)2	114.2722	3.605	12	114.2722	12.996	12	114.2722	12.996	12	114.2722	12.996	12	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)2(BHN)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6]C[6]2H)(NBN)(H)	C[6](C[6]C[6]HH)2(BHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6]C[6]2H)(NBN)(H)	109.2915	0.261	2	109.2915	0.068	2	109.2915	0.068	2	109.2915	0.068	2	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)2(BCO)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6]C[6]2H)(CC[6]HN)(OC)	C[6](C[6]C[6]HH)2(BCO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6]C[6]2H)(CC[6]HN)(OC)	113.7615	2.471	2	113.7615	6.108	2	113.7615	6.108	2	112.8175	5.567	30	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6](C[6]C[6]HH)2(BC[6]N)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6]C[6]2H)2(NP)	C[6](C[6]C[6]HH)2(BC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(NP)	111.9405	2.191	8	111.9405	4.802	8	111.9405	4.802	8	112.8175	5.567	30	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)2(BC[6]O)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6]C[6]2H)2(OB)	C[6](C[6]C[6]HH)2(BC[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(OB)	113.2315	1.884	16	113.2315	3.548	16	113.0739	5.919	20	112.8175	5.567	30	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	4:4:2:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)2(BC[6]O)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6]C[6]2H)2(OP)	C[6](C[6]C[6]HH)2(BC[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(OP)	112.4437	4.369	4	112.4437	19.089	4	113.0739	5.919	20	112.8175	5.567	30	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(BC[6]N)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6]C[6]2H)2(NC[6a]P)	C[6](C[6]C[6]HH)2(BC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6]C[6]2H)2(NC[6a]P)	113.7897	5.980	4	113.7897	35.760	4	113.7897	35.760	4	113.7897	35.760	4	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	4:4:3:1:	4:4:1:1:	4:4:4:	C[6]-4:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(BC[6]2)(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	B(C[6]C[6]2H)3	C[6](C[6]C[6]HH)2(BC[6]2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B(C[6]C[6]2H)3	111.1823	0.011	3	111.1823	0.000	3	111.1823	0.000	3	111.1823	0.000	3	113.0123	9.262	52	112.9520	9.406	56
466	466	770	0:SP3_SP2_SP3	C[6]	C[6]	B	6:4:3:1:	4:4:1:1:	4:2:2:	B[4x3,3x5,13x6]-6:C[6]-4:B-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:	C[6](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3])(C[6]C[6]HH)(BOO)(H)	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2	B(C[6]B[4x3,3x5,13x6]C[6]H)(OC)2	C[6](B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]H[3])(C[6]C[6]HH)(BOO)(H){1|C<4>,5|B<6>,5|H<1>}	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2{1|C<5>,1|H<2>,2|H<1>,3|B<6>}	B(C[6]B[4x3,3x5,13x6]C[6]H)(OC)2	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	113.5570	0.000	1	113.0123	9.262	52	112.9520	9.406	56
466	466	778	0:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:4:4:3:	4:4:1:1:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,4|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2){1|B<6>,2|C<3>,3|C<4>,9|H<1>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	111.7576	6.824	7	111.7576	6.824	7
466	466	778	0:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:4:4:4:	4:4:1:1:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2{1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,5|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2){10|H<1>,1|B<6>,2|C<3>,3|C<4>}	112.1985	2.804	2	112.1985	7.861	2	112.1985	7.861	2	111.4817	7.550	6	111.7576	6.824	7	111.7576	6.824	7
466	466	778	0:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:4:4:4:	4:4:1:1:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(C[6]C[6]HH)2	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[5]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(C[6]C[6]HH)2{10|H<1>,1|C<5>,3|C<4>,5|B<6>}	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|B<6>,4|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[5]C[6]2){1|Fe<10>,1|B<6>,5|C<4>,9|H<1>}	111.1232	3.074	4	111.1232	9.449	4	111.1232	9.449	4	111.4817	7.550	6	111.7576	6.824	7	111.7576	6.824	7
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3,3,3x5,11x6]	5:4:1:1:	4:4:1:1:	5:6:5:3:4:	C[3,3,3x5,11x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[3x3,3x5,9x6]-5:B[5x3,5,5,8x6]-6:B[3x3,3x5,8x6]-5:B[5,5,6x6]-3:C[6]-4:	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2	C[3,3,3x5,11x6](B[3x3,3x5,9x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[6])(B[5x3,5,5,8x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,3x5,5x6]2H)(B[3x3,3x5,8x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]H)(B[5,5,6x6]B[3,3,3x5,10x6]H)(C[6]C[6]HH)	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<6>,3|B<5>,5|H<1>}	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|B<4>,1|B<6>,1|H<1>,2|B<5>}	C[3,3,3x5,11x6](B[3x3,3x5,9x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[6])(B[5x3,5,5,8x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,3x5,5x6]2H)(B[3x3,3x5,8x6]B[3x3,3x5,8x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]H)(B[5,5,6x6]B[3,3,3x5,10x6]H)(C[6]C[6]HH){1|B<4>,1|B<6>,1|C<4>,8|H<1>}	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3,3,4,3x5,14x6]	5:4:1:1:	4:4:1:1:	6:5:5:4:4:	C[3,3,4,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,3x5,8x6]-6:B[3x3,4,5,5,8x6]-5:B[3x3,3x5,12x6]-5:B[3,4,5,5,9x6]-4:C[6]-4:	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2	C[3,3,4,3x5,14x6](B[5x3,3x5,8x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]H)(B[3x3,4,5,5,8x6]B[4x3,4,3x5,11x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2C[6])(B[3,4,5,5,9x6]B[4x3,4,3x5,11x6]B[3x3,5,5,9x6]H)(C[6]C[6]HH)	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,3|B<6>,5|H<1>}	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2{1|B<6>,1|H<1>,2|B<4>,2|B<5>}	C[3,3,4,3x5,14x6](B[5x3,3x5,8x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]H)(B[3x3,4,5,5,8x6]B[4x3,4,3x5,11x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,9x6]B[5x3,3x5,8x6]2C[6])(B[3,4,5,5,9x6]B[4x3,4,3x5,11x6]B[3x3,5,5,9x6]H)(C[6]C[6]HH){1|B<4>,1|B<6>,1|C<4>,8|H<1>}	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3,3,4,5,10x6]	5:4:1:1:	4:4:1:1:	6:6:5:4:4:	C[3,3,4,5,10x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,5,5,8x6]-6:B[4x3,4,3x5,13x6]-6:C[3x3,5,5,12x6]-5:B[3,4,4x6]-4:C[6]-4:	C[6](C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3,4,4x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2	C[3,3,4,5,10x6](B[5x3,5,5,8x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,4x6]H)(B[4x3,4,3x5,13x6]B[4x3,4,5,7x6]B[5x3,4x5,4x6]B[5x3,5,5,8x6]B[5x3,5,5,9x6]H)(C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[6])(B[3,4,4x6]B[4x3,4,5,7x6]B[3,3,6,6]H)(C[6]C[6]HH)	C[6](C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3,4,4x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,4|B<6>,5|H<1>}	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<5>,2|B<6>,2|H<1>}	C[3,3,4,5,10x6](B[5x3,5,5,8x6]B[4x3,4,3x5,13x6]C[3x3,5,5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,4x6]H)(B[4x3,4,3x5,13x6]B[4x3,4,5,7x6]B[5x3,4x5,4x6]B[5x3,5,5,8x6]B[5x3,5,5,9x6]H)(C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[6])(B[3,4,4x6]B[4x3,4,5,7x6]B[3,3,6,6]H)(C[6]C[6]HH){10|H<1>,1|C<4>,1|N<4>,2|B<6>}	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,3x5,13x6]	5:4:1:1:	4:4:1:1:	6:6:6:6:4:	C[3x3,3x5,13x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,13x6]-6:B[4x3,3x5,12x6]-6:C[6]-4:	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[6]H[3])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[6]C[6]HH)	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|H<1>,4|B<6>}	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[4x3,3x5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[6]H[3])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[6]C[6]HH){1|B<3>,1|B<6>,1|C<4>,8|H<1>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,3x5,14x6]	5:4:1:1:	4:4:1:1:	6:6:6:5:4:	C[3x3,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,3x5,11x6]-6:B[3x3,4x5,15x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,13x6]-5:C[6]-4:	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2	C[3x3,3x5,14x6](B[5x3,3x5,11x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,15x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]C[5,3x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,13x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[3x3,3x5,13x6]B[3x3,4x5,14x6]B[5x3,3x5,11x6]2H)(C[6]C[6]HH)	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|B<5>,1|C<4>,4|B<6>,6|H<1>}	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2{1|B<3>,1|B<5>,1|H<1>,3|B<6>}	C[3x3,3x5,14x6](B[5x3,3x5,11x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,15x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,3x5,12x6]C[5,3x6]H)(B[5x3,3x5,11x6]B[3x3,3x5,13x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[3x3,3x5,13x6]B[3x3,4x5,14x6]B[5x3,3x5,11x6]2H)(C[6]C[6]HH){1|B<3>,1|B<6>,1|C<4>,8|H<1>}	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,4x5,14x6]	5:4:1:1:	4:4:1:1:	6:6:6:5:4:	C[3x3,4x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	B[4x3,5x5,19x6]-6:B[5x3,3x5,15x6]-6:B[5x3,3x5,14x6]-6:C[3x3,4x5,13x6]-5:C[6]-4:	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	C[3x3,4x5,14x6](B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]Ga[3,3,5,5,7x6]H)(B[5x3,3x5,15x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,14x6]B[5x3,3x5,15x6]2C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]H)(C[6]C[6]HH)	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2{1|Ga<5>,2|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	C[3x3,4x5,14x6](B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]Ga[3,3,5,5,7x6]H)(B[5x3,3x5,15x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,14x6]B[5x3,3x5,15x6]2C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,13x6]B[4x3,5x5,18x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]H)(C[6]C[6]HH){1|B<6>,1|C<4>,1|N<4>,7|H<1>}	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,5,5,12x6]	5:4:1:1:	4:4:1:1:	6:6:5:5:4:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,3x5,5x6]-6:B[5x3,5,5,8x6]-6:B[3x3,5,5,13x6]-5:C[3x3,5,9x6]-5:C[6]-4:	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	C[3x3,5,5,12x6](B[5x3,3x5,5x6]B[3x3,5,5,13x6]B[5x3,3x5,6x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]C[3x3,5,9x6]H)(B[3x3,5,5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,3x5,6x6]H)(C[3x3,5,9x6]B[6x3,4x5,13x6]B[5x3,5,5,8x6]B[3x3,5,4x6]C[6])(C[6]C[6]HH)	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2{1|B<5>,1|B<7>,1|C<4>,3|B<6>,5|H<1>}	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[3x3,5,5,12x6](B[5x3,3x5,5x6]B[3x3,5,5,13x6]B[5x3,3x5,6x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]C[3x3,5,9x6]H)(B[3x3,5,5,13x6]B[4x3,3x5,12x6]B[5x3,3x5,5x6]B[5x3,3x5,6x6]H)(C[3x3,5,9x6]B[6x3,4x5,13x6]B[5x3,5,5,8x6]B[3x3,5,4x6]C[6])(C[6]C[6]HH){1|B<5>,1|C<4>,2|B<6>,9|H<1>}	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	114.5770	0.076	2	114.5770	0.076	2	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,5,5,12x6]	5:4:1:1:	4:4:1:1:	6:6:5:5:4:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5x3,5,5,8x6]-6:B[5x3,3x5,5x6]-6:C[3,3,4,5,10x6]-5:B[3x3,5,5,13x6]-5:C[6]-4:	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	C[3x3,5,5,12x6](B[5x3,5,5,8x6]B[4x3,4,3x5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,4x5,4x6]H)(B[5x3,3x5,5x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,4x5,4x6]B[5x3,5,5,8x6]H)(C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]B[5x3,5,5,8x6]B[3,4,4x6]C[6])(B[3x3,5,5,13x6]B[4x3,5,5,12x6]B[5x3,3x5,5x6]2H)(C[6]C[6]HH)	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,4|B<6>,5|H<1>}	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	C[3x3,5,5,12x6](B[5x3,5,5,8x6]B[4x3,4,3x5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,4x5,4x6]H)(B[5x3,3x5,5x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,4x5,4x6]B[5x3,5,5,8x6]H)(C[3,3,4,5,10x6]B[4x3,4,3x5,13x6]B[5x3,5,5,8x6]B[3,4,4x6]C[6])(B[3x3,5,5,13x6]B[4x3,5,5,12x6]B[5x3,3x5,5x6]2H)(C[6]C[6]HH){1|B<5>,1|C<4>,2|B<6>,9|H<1>}	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	114.5770	0.076	2	114.5770	0.076	2	112.3219	3.344	9
466	466	778	6:SP3_SP3_SPD5	C[6]	C[6]	C[3x3,5,9x6]	5:4:1:1:	4:4:1:1:	7:6:5:5:4:	C[3x3,5,9x6]-5:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6x3,4x5,13x6]-7:B[5x3,5,5,8x6]-6:C[3x3,5,5,12x6]-5:B[3x3,5,4x6]-5:C[6]-4:	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2	C[3x3,5,9x6](B[6x3,4x5,13x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]H)(C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[6])(B[3x3,5,4x6]B[6x3,4x5,13x6]B[3,3,5,6,6]B[5x3,5,7x6]H)(C[6]C[6]HH)	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,4|B<6>,5|H<1>}	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|B<6>,1|B<7>,1|C<5>,2|H<1>}	C[3x3,5,9x6](B[6x3,4x5,13x6]B[5x3,3x5,8x6]B[5x3,4x5,5x6]B[5x3,5,5,8x6]B[3x3,5,4x6]B[5x3,5,7x6]H)(B[5x3,5,5,8x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,3x5,5x6]B[5x3,4x5,5x6]H)(C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[6])(B[3x3,5,4x6]B[6x3,4x5,13x6]B[3,3,5,6,6]B[5x3,5,7x6]H)(C[6]C[6]HH){10|H<1>,1|C<3>,1|C<4>,2|B<6>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.3219	3.344	9
466	466	786	0:SP3_SP3_SP3	C[6]	C[6]	B[5,5]	4:4:2:1:	4:4:1:1:	4:4:2:2:	B[5,5]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	C[6](B[5,5]N[5,5]O[5]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6]B[5,5]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,2|O<2>}	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	115.8816	9.989	9
466	466	786	0:SP3_SP3_SP3	C[6]	C[6]	B[5]	4:4:4:1:	4:4:1:1:	3:4:4:3:	B[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-3:	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C)	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H){3|C<3>,4|C<4>,5|H<1>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C){10|H<1>,2|C<3>,4|C<4>}	114.8140	3.005	4	114.8140	9.031	4	114.8140	9.031	4	114.8140	9.031	4	115.9269	11.395	8	115.8816	9.989	9
466	466	786	0:SP3_SP3_SP3	C[6]	C[6]	B[5]	4:4:4:1:	4:4:1:1:	3:4:4:4:	B[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-4:	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC)	C[6](B[5]C[5,6a]C[6]N[5])(C[6]C[6]HH)2(H){2|C<3>,5|H<1>,6|C<4>}	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC){10|H<1>,2|C<3>,5|C<4>}	117.0397	3.776	4	117.0397	14.255	4	117.0397	14.255	4	117.0397	14.255	4	115.9269	11.395	8	115.8816	9.989	9
466	466	786	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5,6,6]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6,6]-4:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5,6,6](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)2	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	110.0215	1.163	8	110.0215	1.353	8	110.0215	1.353	8	110.0215	1.353	8	110.0611	4.434	32	110.1531	4.457	35
466	466	786	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:2:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[6,6](B[5,6,6]C[6,6]C[5]O[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5])	C[6,6](B[5,6,6]C[6,6]C[5]O[5])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5]){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	109.2440	0.731	4	109.2440	0.534	4	109.2440	0.534	4	109.2440	0.534	4	110.0611	4.434	32	110.1531	4.457	35
466	466	786	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:3:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]2)	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]2){1|Fe<10>,10|H<1>,2|C<3>,4|C<4>}	110.5850	1.570	8	110.5850	2.465	8	110.4236	3.127	12	110.4236	3.127	12	110.0611	4.434	32	110.1531	4.457	35
466	466	786	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:3:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6,6]-4:C[5]-3:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]Si)	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){1|Si<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]C[5]Si){10|H<1>,2|C<3>,2|C<4>}	110.1008	2.347	4	110.1008	5.506	4	110.4236	3.127	12	110.4236	3.127	12	110.0611	4.434	32	110.1531	4.457	35
466	466	786	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5,6,6]	4:4:4:1:	4:4:1:1:	3:4:4:4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6,6]-4:C[5]-4:	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]N[5]HH)	C[6,6](B[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)2(C[5]N[5]HH){2|C<3>,3|C<4>,9|H<1>}	109.6893	3.327	4	109.6893	11.072	4	109.6893	11.072	4	109.6893	11.072	4	110.0611	4.434	32	110.1531	4.457	35
466	466	786	6:SP3_SP3_SP3	C[6,6]	C[6]	B[5,6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[5]-4:N[5]-4:	C[6,6](B[5,6,6]C[6,6]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC)	C[6,6](B[5,6,6]C[6,6]C[5]N[5])(C[6]C[6]HH)2(H){6|C<4>,7|H<1>}	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	B[5,6,6](C[6,6]C[6]2H)2(C[5]C[5]HH)(N[5]C[5]CC){12|H<1>,2|C<4>}	110.2417	4.236	4	110.2417	17.941	4	110.2417	17.941	4	110.2417	17.941	4	110.0611	4.434	32	110.1531	4.457	35
466	466	786	6:SP3_SP3_SP3	C[6]	C[6]	B[5,6]	4:4:1:1:	4:4:1:1:	4:4:2:2:	B[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O[5]-2:O[5]-2:	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	B[5,6](C[6]C[6]HH)(N[6]C[6]CH)(O[5]C[5])2{1|C<4>,8|H<1>}	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	111.1350	5.462	3	110.1531	4.457	35
466	466	786	6:SP3_SP3_SP3	C[6]	C[6]	B[5,6]	4:4:4:1:	4:3:1:1:	4:4:4:2:	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[6]-4:N[5]-4:O[5]-2:	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	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5])	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>}	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	109.8250	0.792	2	109.8250	0.627	2	109.8250	0.627	2	109.8250	0.627	2	111.1350	5.462	3	110.1531	4.457	35
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[3x6]	Cl	4:3:3:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl)	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H)	Cl(C[3x6]C[3x6]C[6,6]2)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[5,6,6]Cl)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]2Cl)(C[6]C[6]HH)(H){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	Cl(C[3x6]C[3x6]C[6,6]2)	111.8270	0.222	2	111.8270	0.049	2	111.8270	0.049	2	111.8270	0.049	2	111.8270	0.049	2	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	Cl	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[4x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl)	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	Cl(C[3x6]C[4x6]2C[6,6])	C[3x6](C[4x6]C[3x6]C[4x6]H)2(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,2|C<3>,4|H<1>,5|C<4>}	C[4x6](C[3x6]C[4x6]C[6,6]Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	Cl(C[3x6]C[4x6]2C[6,6])	109.2105	0.051	4	109.2105	0.003	4	109.2105	0.003	4	109.6034	0.250	10	109.6201	0.228	11	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	Cl	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H)	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2Cl)(C[4x6]C[3x6]2H)(H){2|Cl<1>,1|C<3>,1|O<2>,3|C<4>,6|H<1>}	Cl(C[3x6]C[4x6]C[6,6]2)	109.7420	0.171	2	109.7420	0.029	2	109.8653	0.243	6	109.6034	0.250	10	109.6201	0.228	11	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	Cl	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){2|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	Cl(C[3x6]C[4x6]C[6,6]2)	109.9520	0.544	2	109.9270	0.380	4	109.8653	0.243	6	109.6034	0.250	10	109.6201	0.228	11	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	Cl	4:4:3:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-4:C[4x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H)	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	C[4x6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(C[4x6]C[3x6]2H)(H){1|Br<1>,2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	Cl(C[3x6]C[4x6]C[6,6]2)	109.9020	0.918	2	109.9270	0.380	4	109.8653	0.243	6	109.6034	0.250	10	109.6201	0.228	11	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[4x6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[5,4x6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl)	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H)	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[4x6](C[5,4x6]C[5,3x6]2H)(C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2H)(H){2|Cl<1>,1|O<1>,4|C<4>,6|H<1>}	Cl(C[3x6]C[4x6]C[6,6]2)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	109.6201	0.228	11	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:3:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,1|O<1>,4|C<3>}	Cl(C[3x6]C[6,6]3)	110.4673	0.641	3	110.4673	0.410	3	110.4673	0.410	3	110.4673	0.410	3	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	Cl(C[3x6]C[6,6]3)	111.0107	0.162	3	111.1457	0.047	6	111.1457	0.047	6	111.1457	0.047	6	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:3:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]C[6a]H)(C[6,6]C[6,6]Cl)(C[6,6]C[6,6]O)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	Cl(C[3x6]C[6,6]3)	111.2807	0.193	3	111.1457	0.047	6	111.1457	0.047	6	111.1457	0.047	6	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:3:3:1:	4:4:4:3:	4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[3x6]O)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH)	Cl(C[3x6]C[6,6]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[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>}	Cl(C[3x6]C[6,6]3)	111.6270	0.000	1	111.6270	0.000	1	111.6270	0.000	1	111.6270	0.000	1	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:3:1:	4:3:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(C[3x6]C[6,6]3)	108.8230	0.746	3	108.8230	0.557	3	108.8230	0.557	3	108.8230	0.557	3	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[3x6]C[4x6]C[6,6]2)	108.5525	0.265	2	108.8327	0.154	6	108.8327	0.154	6	109.6468	1.093	12	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:3:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[3x6]C[4x6]C[6,6]2)	108.9728	0.393	4	108.8327	0.154	6	108.8327	0.154	6	109.6468	1.093	12	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:Cl-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,2|O<2>,4|C<3>}	Cl(C[3x6]C[6,6]3)	109.7420	0.310	3	109.7420	0.096	3	109.7420	0.096	3	109.6468	1.093	12	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:Cl-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6]H)(Cl)	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2	Cl(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6]H)(Cl){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	Cl(C[3x6]C[6,6]2N[6,6])	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	109.6468	1.093	12	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:Cl-1:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[5,6,6]HH)2(N[6,6]C[6,6]H)(Cl)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2	Cl(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[5,6,6]HH)2(N[6,6]C[6,6]H)(Cl){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	Cl(C[3x6]C[6,6]2N[6,6])	111.1960	0.083	2	111.1960	0.007	2	111.1960	0.007	2	109.6468	1.093	12	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2{2|Cl<1>,2|H<1>,3|C<4>}	Cl(C[3x6]C[4x6]C[6,6]2)	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	108.8452	3.830	5	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[4x6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[5,6,6]-4:C[3x6]-4:Cl-1:H-1:	C[3x6]-4:	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H)	Cl(C[3x6]C[4x6]C[6,6]2)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	Cl(C[3x6]C[4x6]C[6,6]2)	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	108.8452	3.830	5	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(Cl)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(Cl){1|Br<1>,1|F<1>,1|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2{2|C<4>,8|H<1>}	Cl(C[3x6]C[6,6]3)	105.7600	0.000	1	105.7600	0.000	1	108.4730	7.067	3	108.8452	3.830	5	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(Cl){1|Br<1>,1|F<1>,1|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	Cl(C[3x6]C[6,6]3)	111.0730	0.000	1	111.0730	0.000	1	108.4730	7.067	3	108.8452	3.830	5	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2	Cl(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(Cl){1|Br<1>,1|F<1>,1|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	Cl(C[3x6]C[6,6]3)	108.5860	0.000	1	108.5860	0.000	1	108.4730	7.067	3	108.8452	3.830	5	109.8787	1.813	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	Cl	4:4:3:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6,6]-3:Cl-1:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]N[6,6]O)(Cl)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H)	Cl(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,1|O<2>,9|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[6]O[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	Cl(C[4x6]C[3x6]2C[6,6])	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	108.8177	6.001	3	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	Cl	4:4:4:1:	4:2:3:2:	4:	C[3x6]-4:C[6,6]-4:C[3x6]-4:Cl-1:	C[4x6]-4:O[6]-2:C[6]-3:O[6]-2:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6])	Cl(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(O[6]C[6,6])(C[6]C[6]H)(O[6]C[6]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	Cl(C[4x6]C[3x6]2C[6,6])	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.8177	6.001	3	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	Cl	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[3x6]-4:Cl-1:	C[4x6]-4:C[6,6]-4:C[6]-3:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl)	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H)	Cl(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]Cl)(C[6,6]C[6]2H)(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	Cl(C[4x6]C[3x6]2C[6,6])	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	108.8177	6.001	3	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[4x6]	C[6,6]	Cl	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C[3x6]-4:Cl-1:	C[6,6]-4:C[4x6]-4:C[6]-3:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl)	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H)	Cl(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[3x6]C[6]O[6]2)(Cl){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[4x6]C[3x6]2Cl)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	Cl(C[4x6]C[3x6]2C[6,6])	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:1:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	Cl(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6]H)	111.2925	0.928	2	111.2925	0.862	2	111.2925	0.862	2	111.2925	0.862	2	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H)	Cl(C[6,6]C[3x6]C[6,6]H)	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[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[3x6]CH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6]H)	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	111.1088	1.766	4	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[3x6]-4:Cl-1:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:Cl-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H)	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl)	Cl(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]Cl)(C[3x6]C[4x6]C[6,6]Cl)(Cl)(H){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[4x6]C[5,4x6]C[3x6]H)(C[6,6]C[5,6,6]ClH)(C[6,6]C[6,6]HH)(Cl){1|Cl<1>,1|C<3>,4|C<4>,4|H<1>}	Cl(C[6,6]C[5,6,6]C[3x6]H)	111.2200	0.000	1	111.2200	0.000	1	111.2200	0.000	1	111.1088	1.766	4	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H)	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H)	Cl(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H){2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6]C[6,6]ClH)(C[6,6]C[6,6]HO)2(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6]H)	111.7725	1.528	2	111.7725	2.335	2	111.7725	2.335	2	111.1088	1.766	4	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H)	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)	Cl(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	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>}	Cl(C[6,6]C[3x6]C[6,6]H)	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:2:1:	3:4:3:1:	4:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	Cl(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	Cl(C[6,6]C[3x6]C[6,6]C)	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:2:1:	4:3:3:2:	4:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl)	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	Cl(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<4>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6]C)	108.8123	0.581	11	108.8123	0.338	11	108.8123	0.338	11	108.8123	0.338	11	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:2:1:	4:4:3:2:	4:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	Cl(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6]C)	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl)	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H)	Cl(C[6,6]C[3x6]2C[6])	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl){11|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[3x6](C[6,6]C[3x6]C[6]Cl)(C[6,6]C[3x6]HH)2(H){4|H<1>,5|C<4>}	Cl(C[6,6]C[3x6]2C[6])	107.5260	0.933	4	107.5260	0.871	4	107.5260	0.871	4	107.5260	0.871	4	109.2580	2.399	24	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:3:3:1:	4:2:4:3:	4:	C[6,6]-4:C[6]-3:C[6]-3:Cl-1:	C[6,6]-4:O[6]-2:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2Cl)(O[6]C[6,6a])(C[6]C[6]HO)(COO)	Cl(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)(Cl){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2Cl)(O[6]C[6,6a])(C[6]C[6]HO)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	Cl(C[6,6]C[6,6]C[6]2)	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:3:4:1:	4:3:2:4:	4:	C[6,6]-4:C[6]-3:C[6]-4:Cl-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)	C[6,6](C[6,6]C[6]2Cl)(C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	Cl(C[6,6]C[6,6]C[6]2)	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[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>}	Cl(C[6,6]C[6,6]C[6]2)	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:1:1:	4:3:4:1:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:N[4x6]-3:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]CH)(Cl)(H)	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	Cl(C[6,6]C[3x6]C[6,6]H)	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[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6]H)	113.1800	0.000	1	113.1800	0.000	1	113.1800	0.000	1	113.1800	0.000	1	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:Cl-1:H-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2	Cl(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	Cl(C[6,6]C[3x6]C[6,6]H)	110.9375	0.330	2	110.9375	0.109	2	110.9375	0.109	2	110.7804	0.374	5	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2	Cl(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2C)(Cl)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	Cl(C[6,6]C[3x6]C[6,6]H)	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	110.7804	0.374	5	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:C[3x6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H)	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H)	Cl(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6]C[3x6]ClH)(C[3x6]C[6,6]2H)(Cl)(H){2|C<4>,2|O<2>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6]H)	111.1180	0.359	2	111.1180	0.129	2	111.1180	0.129	2	110.7804	0.374	5	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)2(Cl)(H)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	Cl(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]H)2(Cl)(H){2|H<1>,3|C<3>,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>}	Cl(C[6,6]C[6,6]2H)	111.6287	0.083	4	111.6287	0.007	4	111.6287	0.007	4	111.6287	0.007	4	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2	Cl(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	Cl(C[6,6]C[3x6]C[6,6]C)	110.7355	0.313	11	110.7355	0.098	11	110.8200	0.175	12	110.7637	0.201	13	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2	Cl(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(CN)(Cl){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(C[6,6]C[3x6]C[6,6]C)	111.7490	0.000	1	111.7490	0.000	1	110.8200	0.175	12	110.7637	0.201	13	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C[6,6]-4:C-2:Cl-1:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2	Cl(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(CN)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	Cl(C[6,6]C[3x6]C[6,6]C)	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	110.7637	0.201	13	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:3:1:	3:4:2:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH)	Cl(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	Cl(C[6,6]C[6,6]2C[6])	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	Cl(C[6,6]C[6,6]2C[6])	C[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[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>}	Cl(C[6,6]C[6,6]2C[6])	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	105.8900	0.000	1	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:3:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	Cl(C[6,6]C[6,6]2C[6])	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	Cl(C[6,6]C[6,6]2C[6])	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:3:1:	4:4:4:2:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:Cl-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	Cl(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[3,6]C[6,6]O)(C[6,6]C[6,6a]O[6]O)(C[6]N[6]O)(Cl){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	Cl(C[6,6]C[6,6]2C[6])	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	Cl(C[6,6]C[6,6]2C[6])	C[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[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>}	Cl(C[6,6]C[6,6]2C[6])	104.8690	0.881	2	104.9808	0.237	6	104.9808	0.237	6	104.9808	0.237	6	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	Cl(C[6,6]C[6,6]2C[6])	C[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[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>}	Cl(C[6,6]C[6,6]2C[6])	105.0367	0.352	4	104.9808	0.237	6	104.9808	0.237	6	104.9808	0.237	6	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	Cl(C[6,6]C[6,6]2C[6])	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	Cl(C[6,6]C[6,6]2C[6])	107.9768	0.500	6	107.7826	0.473	7	107.7826	0.473	7	107.7826	0.473	7	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	Cl(C[6,6]C[6,6]2C[6])	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	Cl(C[6,6]C[6,6]2C[6])	106.6170	0.000	1	107.7826	0.473	7	107.7826	0.473	7	107.7826	0.473	7	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[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[6,6](C[6,6]C[6,6]C[6]Cl)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	Cl(C[6,6]C[6,6]2C[6])	C[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[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>}	Cl(C[6,6]C[6,6]2C[6])	107.7240	0.000	1	107.7240	0.000	1	107.7240	0.000	1	108.7202	0.610	4	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	Cl(C[6,6]C[6,6]C[6]2)	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[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>}	Cl(C[6,6]C[6,6]C[6]2)	108.4710	0.000	1	108.4710	0.000	1	109.0523	0.254	3	108.7202	0.610	4	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	Cl	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2Cl)(C[6]C[6]HH)(CH3)	Cl(C[6,6]C[6,6]C[6]2)	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[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>}	Cl(C[6,6]C[6,6]C[6]2)	109.3430	0.016	2	109.3430	0.000	2	109.0523	0.254	3	108.7202	0.610	4	109.2680	5.127	46	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	3:4:4:1:	4:3:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2	Cl(C[6,6]C[6,6]C[6]2)	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[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	Cl(C[6,6]C[6,6]C[6]2)	105.0950	0.000	1	105.0950	0.000	1	105.0950	0.000	1	105.0950	0.000	1	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	3:4:4:1:	4:4:4:1:	4:	C[6,6]-3:C[6]-4:C[6]-4:Cl-1:	C[5,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]O)(C[6]C[5,6]CH)(C[6]N[6]HH)(Cl)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6,6]C[6]Cl)(CH3)(H)	Cl(C[6,6]C[6,6]C[6]2)	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[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>}	Cl(C[6,6]C[6,6]C[6]2)	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:3:4:1:	4:4:1:1:	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]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2	Cl(C[6,6]C[6,6]C[6]2)	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[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	Cl(C[6,6]C[6,6]C[6]2)	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H)	Cl(C[6,6]C[6,6]C[6]2)	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[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	Cl(C[6,6]C[6,6]C[6]2)	100.7460	0.000	1	100.7460	0.000	1	100.7460	0.000	1	103.7300	4.042	4	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	Cl(C[6,6]C[6,6]C[6]2)	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[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	Cl(C[6,6]C[6,6]C[6]2)	104.3240	0.000	1	104.3240	0.000	1	104.7247	0.126	3	103.7300	4.042	4	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	Cl(C[6,6]C[6,6]C[6]2)	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[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	Cl(C[6,6]C[6,6]C[6]2)	104.9250	0.107	2	104.9250	0.012	2	104.7247	0.126	3	103.7300	4.042	4	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[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[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	Cl(C[6,6]C[6,6]2C[6])	C[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[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	Cl(C[6,6]C[6,6]2C[6])	102.5083	0.794	6	102.3237	0.764	7	102.3237	0.764	7	102.5257	0.737	9	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[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[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	Cl(C[6,6]C[6,6]2C[6])	C[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[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	Cl(C[6,6]C[6,6]2C[6])	101.2160	0.000	1	102.3237	0.764	7	102.3237	0.764	7	102.5257	0.737	9	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(Cl)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	Cl(C[6,6]C[6,6]C[6]2)	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[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	Cl(C[6,6]C[6,6]C[6]2)	103.2325	0.175	2	103.2325	0.031	2	103.2325	0.031	2	102.5257	0.737	9	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6,6]	C[6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[6]-4:Cl-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl)	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H)	Cl(C[6,6]C[3x6]2C[6])	C[6,6](C[3x6]C[6,6]2H)2(C[6]C[6]2H)(Cl){11|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]2Cl)(C[6]C[6]HO)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<4>}	Cl(C[6,6]C[3x6]2C[6])	106.0750	1.226	2	106.0750	1.503	2	106.0750	1.503	2	106.0750	1.503	2	103.9156	4.687	18	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[3x6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[3x6]-4:C[6]-4:Cl-1:H-1:	C[4x6]-4:C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H)	C[3x6](C[4x6]C[6,6]2O[6,6])(C[3x6]C[4x6]C[6]H)(C[6]C[6]ClH)(CH3)	Cl(C[6]C[3x6]C[6]H)	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[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>}	Cl(C[6]C[3x6]C[6]H)	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:3:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(Cl)(H){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(O[6]C[6,6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	Cl(C[6]C[6,6]C[6]H)	111.3255	0.784	2	111.3255	0.615	2	111.3255	0.615	2	111.3255	0.615	2	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(Cl)2	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H)	Cl(C[6]C[6,6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(Cl)2{1|Cl<1>,2|C<4>,4|H<1>}	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	Cl(C[6]C[6,6]C[6]Cl)	109.5510	2.083	2	109.5510	4.339	2	109.5510	4.339	2	110.1585	1.942	4	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:3:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(Cl)(H){4|C<4>,4|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>}	Cl(C[6]C[6,6]C[6]H)	110.7660	0.096	2	110.7660	0.009	2	110.7660	0.009	2	110.1585	1.942	4	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:3:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(Cl)(H){1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	Cl(C[6]C[6,6]C[6]H)	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:3:4:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-3:S-4:Cl-1:	C[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl)	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H)	Cl(C[6]C[6,6]C[6]S)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)(Cl){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6]C[6]ClS)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Cl(C[6]C[6,6]C[6]S)	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	2:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){2|C<4>,4|H<1>}	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	Cl(C[6]C[6,6]C[6]H)	107.7230	0.464	2	107.7230	0.215	2	107.7230	0.215	2	107.7230	0.215	2	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	3:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	Cl(C[6]C[6,6]C[6]H)	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[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	Cl(C[6]C[6,6]C[6]H)	111.1408	2.477	6	111.1408	6.136	6	111.1408	6.136	6	111.1408	6.136	6	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C[6,6]-4:Cl-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H)	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H)	Cl(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(Cl)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[3,6]ClH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	Cl(C[6]C[3,6]C[6,6]H)	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	111.0643	9.168	10	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[6,6]-4:Cl-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H)	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H)	Cl(C[6]C[5,5,6]C[6,6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(Cl)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5,5,6]ClH)(C[6,6]C[6,6]HH)(C[6]C[6]Cl2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	Cl(C[6]C[5,5,6]C[6,6]H)	104.2160	0.000	1	104.2160	0.000	1	104.2160	0.000	1	111.0643	9.168	10	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(Cl)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	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>}	Cl(C[6]C[6,6]C[6]H)	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	111.0643	9.168	10	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(C[6]C[6]ClH)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6]C[6,6]C[6]H)	110.5427	0.159	3	110.5427	0.025	3	111.8616	5.059	7	111.0643	9.168	10	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|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>}	Cl(C[6]C[6,6]C[6]H)	112.8508	2.656	4	112.8508	7.056	4	111.8616	5.059	7	111.0643	9.168	10	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	Cl(C[6]C[6,6]C[6]H)	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	112.1955	1.590	4	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6,6]	Cl	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	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>}	Cl(C[6]C[6,6]C[6]H)	112.5907	1.204	3	112.5907	1.449	3	112.5907	1.449	3	112.1955	1.590	4	110.7667	5.992	30	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:Cl-1:Cl-1:	C[6]-3:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2	Cl(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2{1|O<1>,2|C<3>}	Cl(C[6]C[6]2Cl)	109.3715	4.716	2	109.3025	14.150	4	109.3025	14.150	4	109.3025	14.150	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C[6]-4:Cl-1:Cl-1:	C[6]-3:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2	Cl(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl2)(Cl)2{1|C<3>,1|N<2>,1|O<1>}	Cl(C[6]C[6]2Cl)	109.2335	4.494	2	109.3025	14.150	4	109.3025	14.150	4	109.3025	14.150	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	3:4:4:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	Cl(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	Cl(C[6]C[6,6a]C[6]H)	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:2:3:3:	4:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-3:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO)	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CC)(Cl)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO){1|O<1>,2|C<3>}	Cl(C[6]C[6]2H)	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	Cl(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	Cl(C[6]C[6,6a]C[6]H)	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:Cl-1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H)	Cl(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2{1|H<1>,1|S<3>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H){1|N<2>,2|C<3>}	Cl(C[6]C[6,6a]C[6]Cl)	107.6650	0.225	2	107.6650	0.051	2	107.6650	0.051	2	107.6650	0.051	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	Cl(C[6]C[6,6]C[6]H)	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	109.3283	2.313	11	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H)	Cl(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	Cl(C[6]C[6,6a]C[6]H)	106.2120	0.000	1	106.2120	0.000	1	106.3765	0.054	2	109.3283	2.313	11	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	Cl(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	Cl(C[6]C[6,6a]C[6]H)	106.5410	0.000	1	106.5410	0.000	1	106.3765	0.054	2	109.3283	2.313	11	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2	Cl(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2{2|C<3>}	Cl(C[6]C[6,6a]C[6]H)	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	109.3283	2.313	11	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:Cl-1:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2	Cl(C[6]C[6]2Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(Cl)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2{1|O<1>,2|C<3>}	Cl(C[6]C[6]2Cl)	109.9645	0.312	6	109.9645	0.098	6	109.9645	0.098	6	109.3283	2.313	11	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:1:1:	4:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	Cl(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	Cl(C[6]N[5,6]C[6]H)	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	109.3283	2.313	11	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:2:1:	4:	C[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(Cl)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2H)	107.1835	0.134	2	107.1835	0.018	2	107.1835	0.018	2	107.1835	0.018	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H)	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2	Cl(C[6]C[6]N[6]H)	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[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	Cl(C[6]C[6]N[6]H)	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)(Cl){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2{1|O<1>,3|C<4>}	Cl(C[6]C[6]2C)	109.1420	0.000	1	109.1420	0.000	1	108.9360	0.085	2	108.9360	0.085	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-3:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(Cl)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|O<1>,2|C<3>}	Cl(C[6]C[6]2C)	108.7300	0.000	1	108.7300	0.000	1	108.9360	0.085	2	108.9360	0.085	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:2:3:1:	4:4:1:1:	4:	C[6]-4:S[6]-2:C-3:Cl-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl)	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H)	Cl(C[6]C[6]S[6]C)	C[6](C[6]C[6]BrH)(S[6]C[6])(CC[6a]O)(Cl){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]S[6]ClC)(C[6]C[6]HH)(Br)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]S[6]C)	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	107.1070	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H)	Cl(C[6]C[6]2Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2{2|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H){1|C<4>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2Cl)	108.9160	4.001	2	108.9160	16.006	2	108.9160	16.006	2	109.9277	11.074	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]Cl2)(C[6]C[6]Cl)(Cl)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(Cl)2{2|Cl<1>,1|C<3>,1|C<4>}	Cl(C[6]C[6]2H)	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	109.9277	11.074	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	Cl(C[6]C[6]2Cl)	C[6](C[6]N[6]HO)(C[6]N[6]O)(Cl)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	Cl(C[6]C[6]2Cl)	109.9165	1.421	2	109.9165	2.018	2	109.9165	2.018	2	109.9165	2.018	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	Cl(C[6]C[6]2H)	108.1883	0.664	3	108.1883	0.440	3	108.1883	0.440	3	109.3794	1.707	7	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(Cl)(H){5|C<4>}	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>}	Cl(C[6]C[6]2H)	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	109.3794	1.707	7	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	Cl(C[6]C[6]2H)	111.2970	0.000	1	111.2970	0.000	1	110.3245	1.892	2	109.3794	1.707	7	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2H)	109.3520	0.000	1	109.3520	0.000	1	110.3245	1.892	2	109.3794	1.707	7	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(Cl)(H){1|Cl<1>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	Cl(C[6]C[6]2H)	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	109.3794	1.707	7	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(Cl)(H){2|C<3>,2|O<2>}	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	Cl(C[6]C[6]2H)	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	108.5658	1.774	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2H)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	108.5658	1.774	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	108.5330	0.000	1	108.5330	0.000	1	107.6505	1.558	2	108.5658	1.774	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(Cl)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	Cl(C[6]C[6]2H)	106.7680	0.000	1	106.7680	0.000	1	107.6505	1.558	2	108.5658	1.774	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:3:2:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	Cl(C[6]C[6]2H)	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2H)	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:C-2:Cl-1:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)(Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	Cl(C[6]C[6]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)(Cl){4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2C)	108.6515	0.419	2	108.6515	0.176	2	108.6515	0.176	2	108.6515	0.176	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:3:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:C-3:Cl-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2C)	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:4:1:	3:4:3:1:	4:	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[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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	107.1930	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:4:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:3:4:1:	4:3:3:1:	4:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	110.9083	0.697	3	110.9083	0.486	3	110.9083	0.486	3	110.9083	0.486	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	Cl(C[6]C[6]2H)	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(Cl)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	Cl(C[6]C[6]2H)	104.5470	0.000	1	104.5470	0.000	1	104.5470	0.000	1	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	109.2690	0.000	1	109.6876	0.193	7	109.3775	0.328	13	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{3|H<1>,4|C<4>}	Cl(C[6]C[6]2H)	109.7573	0.437	6	109.6876	0.193	7	109.3775	0.328	13	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	Cl(C[6]C[6]2H)	108.5530	0.000	1	109.0157	0.264	6	109.3775	0.328	13	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	Cl(C[6]C[6]2H)	109.1073	0.711	3	109.0157	0.264	6	109.3775	0.328	13	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,4|C<4>}	Cl(C[6]C[6]2H)	109.1095	0.226	2	109.0157	0.264	6	109.3775	0.328	13	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6]C[6]2H)	106.3740	0.000	1	106.3740	0.000	1	107.2915	1.684	2	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	108.2090	0.000	1	108.2090	0.000	1	107.2915	1.684	2	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|O<2>}	Cl(C[6]C[6]2H)	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H){2|Cl<1>,1|C<3>,1|C<4>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2{1|O<1>,2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	Cl(C[6]C[6]2H)	107.0750	0.000	1	107.0750	0.000	1	107.0750	0.000	1	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H){4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	Cl(C[6]C[6]2H)	109.1440	0.740	2	109.1440	0.547	2	109.1440	0.547	2	108.7393	1.846	21	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	Cl(C[6]C[6]2H)	110.0500	0.000	1	110.0500	0.000	1	110.0500	0.000	1	109.9638	0.411	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	Cl(C[6]C[6]2H)	109.0860	0.000	1	109.0860	0.000	1	109.9350	0.611	3	109.9638	0.411	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6]C[6]2H)	110.3595	0.375	2	110.3595	0.141	2	109.9350	0.611	3	109.9638	0.411	4	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<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>}	Cl(C[6]C[6]2H)	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	Cl(C[6]C[6]2H)	109.3080	0.000	1	109.3080	0.000	1	108.7829	0.183	8	108.7829	0.183	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	108.5722	0.409	4	108.5722	0.168	4	108.7829	0.183	8	108.7829	0.183	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	108.8887	0.380	3	108.8887	0.144	3	108.7829	0.183	8	108.7829	0.183	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H){3|C<3>}	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	Cl(C[6]C[6]2H)	110.8505	0.999	2	110.8505	0.998	2	110.8505	0.998	2	110.4204	1.363	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	Cl(C[6]C[6]2H)	109.8250	0.000	1	109.8250	0.000	1	110.2976	1.571	7	110.4204	1.363	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	Cl(C[6]C[6]2H)	110.3763	1.354	6	110.3763	1.834	6	110.2976	1.571	7	110.4204	1.363	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	Cl(C[6]C[6]2H)	110.6500	0.000	1	110.6500	0.000	1	110.5051	0.149	9	110.5051	0.149	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	Cl(C[6]C[6]2H)	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[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	111.1880	0.000	1	110.5013	0.193	7	110.5051	0.149	9	110.5051	0.149	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	110.3483	0.381	3	110.5013	0.193	7	110.5051	0.149	9	110.5051	0.149	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	110.4253	0.392	3	110.5013	0.193	7	110.5051	0.149	9	110.5051	0.149	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(Cl)(H){2|C<3>}	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	110.3870	0.000	1	110.3870	0.000	1	110.5051	0.149	9	110.5051	0.149	9	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:F-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F)	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2	Cl(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F){1|Cl<1>,3|C<4>}	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	Cl(C[6]C[6]2F)	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	108.7140	1.462	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)(H){1|C<4>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2H)	110.0090	0.000	1	110.0090	0.000	1	108.7300	3.272	2	108.7140	1.462	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:Cl-1:H-1:	C[6]-4:	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H)	Cl(C[6]C[6]2H)	C[6](C[6]N[5,6]ClH)(C[6]C[6]ClH)(Cl)(H){3|C<3>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]C)(Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2H)	107.4510	0.000	1	107.4510	0.000	1	108.7300	3.272	2	108.7140	1.462	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>,2|C<3>}	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	Cl(C[6]C[6]2H)	107.4550	0.000	1	107.4550	0.000	1	107.4550	0.000	1	108.7140	1.462	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	Cl(C[6]C[6]2H)	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	108.7140	1.462	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Cl(C[6]C[6]2H)	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	109.5743	1.133	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(Cl)(H){3|C<3>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	Cl(C[6]C[6]2H)	109.3235	1.374	2	109.3235	1.888	2	109.3235	1.888	2	109.5743	1.133	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:2:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O)	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	Cl(C[6]C[6]2H)	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	Cl(C[6]C[4,6]C[6]H)	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[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>}	Cl(C[6]C[4,6]C[6]H)	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	109.4523	2.526	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	Cl(C[6]C[6]2H)	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	109.4523	2.526	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|W<7>,2|C<3>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H){2|O<2>,3|C<3>,3|H<1>}	Cl(C[6]C[6]2H)	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	109.4523	2.526	3	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	Cl(C[6]C[6]2H)	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[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	109.6895	0.548	2	109.6895	0.300	2	110.1912	0.373	5	110.1912	0.373	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	Cl(C[6]C[6]2H)	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[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	110.5210	0.000	1	110.5210	0.000	1	110.1912	0.373	5	110.1912	0.373	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	Cl(C[6]C[6]2H)	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[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	110.1080	0.000	1	110.1080	0.000	1	110.1912	0.373	5	110.1912	0.373	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:3:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	Cl(C[6]C[6]2H)	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[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	110.9480	0.000	1	110.9480	0.000	1	110.1912	0.373	5	110.1912	0.373	5	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2	Cl(C[6]C[3x6]C[6]H)	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[6](C[6,6]C[6,6]2H)(C[6]C[3x6]ClH)(H)2{8|C<4>}	Cl(C[6]C[3x6]C[6]H)	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2	Cl(C[6]C[4,6]C[6]Cl)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,3|H<1>}	Cl(C[6]C[4,6]C[6]Cl)	109.2315	0.408	2	109.2315	0.166	2	109.2315	0.166	2	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2	Cl(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[3x6]C[5])(C[6]C[6]HH)(Cl)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	Cl(C[6]C[5,6,6]C[6]H)	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2	Cl(C[6]C[5,6]C[6]Cl)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6]HH)(Cl)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]Cl2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>}	Cl(C[6]C[5,6]C[6]Cl)	110.0450	0.390	2	110.0450	0.152	2	110.0450	0.152	2	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[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>}	Cl(C[6]C[5,6]C[6]H)	109.3200	0.000	1	109.3200	0.000	1	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	110.3560	0.000	1	108.8833	3.345	3	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	106.8360	0.000	1	108.8833	3.345	3	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	109.4580	0.000	1	108.8833	3.345	3	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	109.9750	0.000	1	109.7140	0.136	2	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[6]C[5,6]C[6]H)	109.4530	0.000	1	109.7140	0.136	2	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[6]C[5,6]C[6]H)	110.2570	0.000	1	110.2570	0.000	1	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(Cl)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	Cl(C[6]C[5,6]C[6]H)	109.7850	0.000	1	109.7850	0.000	1	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	Cl(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	Cl(C[6]C[5,6]C[6]H)	110.4420	0.000	1	110.4420	0.000	1	109.5424	1.202	9	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	Cl(C[6]C[6,6]C[6]H)	109.8240	0.000	1	109.8240	0.000	1	109.7615	0.695	4	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(Cl)(H){3|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	Cl(C[6]C[6,6]C[6]H)	109.7407	1.020	3	109.7407	1.040	3	109.7615	0.695	4	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	Cl(C[6]C[6,6]C[6]H)	109.4140	0.000	1	109.4140	0.000	1	108.7995	0.665	6	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2{1|H<1>,2|C<4>,3|C<3>}	Cl(C[6]C[6,6]C[6]H)	109.1023	0.819	3	109.1023	0.671	3	108.7995	0.665	6	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(Cl)(H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	Cl(C[6]C[6,6]C[6]H)	108.0380	0.413	2	108.0380	0.171	2	108.7995	0.665	6	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F)	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2	Cl(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F){1|Cl<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2{1|N<3>,4|H<1>}	Cl(C[6]C[6]2F)	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	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[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	Cl(C[6]C[6]2H)	109.5510	1.369	2	109.5510	1.874	2	109.5510	1.874	2	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	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[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{3|C<4>,4|C<3>}	Cl(C[6]C[6]2H)	109.5240	0.000	1	109.1475	0.284	2	109.0980	0.149	3	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	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[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,1|H<1>,6|C<4>}	Cl(C[6]C[6]2H)	108.7710	0.000	1	109.1475	0.284	2	109.0980	0.149	3	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(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]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	108.9990	0.000	1	108.9990	0.000	1	109.0980	0.149	3	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	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[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|H<1>,3|C<3>,3|C<4>}	Cl(C[6]C[6]2H)	109.6870	0.000	1	109.6870	0.000	1	109.8386	0.588	12	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(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]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	Cl(C[6]C[6]2H)	110.0395	0.506	2	110.0395	0.256	2	109.8386	0.588	12	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	Cl(C[6]C[6]2H)	110.5343	0.957	3	110.5343	0.916	3	109.8386	0.588	12	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(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]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	109.9233	0.412	3	109.9233	0.170	3	109.8386	0.588	12	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(Cl)(H){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>}	Cl(C[6]C[6]2H)	109.1620	0.122	2	109.1620	0.015	2	109.8386	0.588	12	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	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[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	Cl(C[6]C[6]2H)	108.6000	0.000	1	108.6000	0.000	1	109.8386	0.588	12	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	Cl(C[6]C[6]2H)	107.9280	0.000	1	107.9280	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	109.1260	0.000	1	109.2815	0.048	2	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	Cl(C[6]C[6]2H)	109.4370	0.000	1	109.2815	0.048	2	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	110.4390	0.000	1	110.4390	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(Cl)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Cl(C[6]C[6]2H)	110.1240	0.000	1	110.1240	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	Cl(C[6]C[6]2H)	108.1725	0.433	2	108.1725	0.188	2	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	Cl(C[6]C[6]2H)	109.7117	0.640	3	109.7117	0.410	3	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	Cl(C[6]C[6]2H)	108.8180	0.221	3	108.8180	0.049	3	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	111.0180	1.842	3	111.0180	3.392	3	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	110.1556	0.329	7	110.0390	0.096	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	Cl(C[6]C[6]2H)	109.6820	0.174	2	110.0390	0.096	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	110.0050	0.104	3	110.0390	0.096	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|Cl<1>,1|H<1>,2|C<3>}	Cl(C[6]C[6]2H)	110.2370	0.000	1	110.2370	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|O<2>,2|C<3>}	Cl(C[6]C[6]2H)	109.7755	0.176	2	109.7755	0.031	2	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[6]2H)	111.5920	0.000	1	111.5920	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	Cl(C[6]C[6]2H)	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[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	Cl(C[6]C[6]2H)	108.7840	0.000	1	108.7840	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	Cl(C[6]C[6]2H)	108.5387	0.350	3	108.5387	0.123	3	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)2(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)2(H)2{1|Cl<1>,1|C<3>,3|C<4>}	Cl(C[6]C[6]2H)	107.5350	0.000	1	107.5350	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	110.4220	0.000	1	110.4220	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	Cl(C[6]C[6]2H)	108.4100	0.214	2	108.4100	0.046	2	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	Cl(C[6]C[6]2H)	110.0090	0.000	1	110.0090	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)2(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)2(H)2{1|Cl<1>,1|C<3>,3|C<4>}	Cl(C[6]C[6]2H)	109.4090	0.000	1	109.4090	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	Cl(C[6]C[6]2H)	109.7490	0.000	1	109.7490	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	Cl(C[6]C[6]2H)	110.0620	0.000	1	110.0620	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|N<3>,4|H<1>}	Cl(C[6]C[6]2H)	109.1560	0.000	1	109.1560	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	Cl(C[6]C[6]2H)	110.5050	0.000	1	110.5050	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Cl(C[6]C[6]2H)	110.3050	1.235	2	110.3050	1.524	2	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	Cl(C[6]C[6]2H)	110.5670	0.000	1	109.6477	0.167	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	109.3030	0.000	1	109.6477	0.167	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	109.9470	0.000	1	109.6477	0.167	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	108.9340	0.000	1	109.6477	0.167	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|N<3>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	109.6277	0.195	8	109.6477	0.167	12	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	110.6360	0.000	1	110.6360	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	109.8720	0.000	1	109.8090	0.006	3	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,3|H<1>}	Cl(C[6]C[6]2H)	109.7240	0.000	1	109.8090	0.006	3	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	109.8310	0.000	1	109.8090	0.006	3	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(Cl)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(Cl)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	109.7690	0.000	1	109.7690	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	108.4280	0.000	1	108.4280	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2	Cl(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(Cl)(H){2|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,3|H<1>}	Cl(C[6]C[6]2H)	109.3210	0.000	1	109.3210	0.000	1	109.6406	0.792	67	109.5874	0.776	110	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	Cl(C[6]C[6,6]C[6]H)	107.2263	1.051	3	107.2263	1.106	3	107.5678	1.203	4	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	Cl(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(Cl)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	Cl(C[6]C[6,6]C[6]H)	108.5920	0.000	1	108.5920	0.000	1	107.5678	1.203	4	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(Cl)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)2(Cl)(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]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2H)	109.7680	0.021	2	109.7680	0.000	2	109.7680	0.000	2	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6,6]HO)(Cl)(H){2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	Cl(C[6]C[6]2H)	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(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]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Cl(C[6]C[6]2H)	108.5010	0.000	1	108.5010	0.000	1	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6a]ClH)(C[6]C[6]HO)(Cl)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	Cl(C[6]C[6]2H)	110.7760	0.000	1	110.7760	0.000	1	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	Cl(C[6]C[6]2H)	109.1500	0.000	1	108.9410	0.052	3	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	108.8365	0.194	2	108.9410	0.052	3	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	Cl(C[6]C[6]2H)	111.3700	0.000	1	111.3700	0.000	1	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(Cl)(H){2|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>}	Cl(C[6]C[6]2H)	110.5060	0.000	1	110.5060	0.000	1	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	Cl(C[6]C[6]2H)	108.5540	0.000	1	108.5540	0.000	1	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	Cl(C[6]C[6]2H)	111.0557	1.377	3	111.0557	1.896	3	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	Cl(C[6]C[6]2H)	110.2997	0.721	3	110.2997	0.519	3	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(Cl)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2H)	111.0211	0.742	8	111.0211	0.551	8	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	Cl(C[6]C[6]2H)	109.5260	0.000	1	109.5260	0.000	1	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	108.2250	0.000	1	108.2250	0.000	1	110.2715	1.426	24	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:Se-2:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HO)(Cl)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(SeC[6a])(H){1|C<4>,1|O<2>,3|H<1>}	Cl(C[6]C[6]2H)	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	109.9393	2.058	32	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(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]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	Cl(C[6]C[6]2H)	109.8720	0.000	1	109.0220	1.445	2	109.0220	1.445	2	109.1351	0.900	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]ClH)(CCO)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(Cl)(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]ClH)(CCO)(H){3|C<4>,5|H<1>}	Cl(C[6]C[6]2H)	108.1720	0.000	1	109.0220	1.445	2	109.0220	1.445	2	109.1351	0.900	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CCO)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(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]ClH)(CCO)(H){1|C<3>,3|C<4>,4|H<1>}	Cl(C[6]C[6]2H)	108.9090	0.608	3	108.9090	0.369	3	108.9090	0.369	3	109.1351	0.900	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CCO)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,2|C<4>,2|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>}	Cl(C[6]C[6]2H)	108.6555	0.005	2	108.6555	0.000	2	108.6555	0.000	2	109.1351	0.900	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	Cl(C[6]C[6]2H)	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	109.1351	0.900	8	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(Cl)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H)	Cl(C[6]C[5,6]C[6]H)	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[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	Cl(C[6]C[5,6]C[6]H)	110.7465	0.370	2	110.7465	0.137	2	110.7465	0.137	2	110.9788	0.840	10	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(CH3)(H){3|C<4>,5|H<1>}	Cl(C[6]C[6]2H)	111.0970	0.498	3	111.0970	0.248	3	111.0970	0.248	3	110.9788	0.840	10	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	110.9788	0.840	10	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6]ClH)(C[6]C[6]CO)(CH3)(H){1|C<4>,4|H<1>}	Cl(C[6]C[6]2H)	109.8870	0.000	1	109.8870	0.000	1	110.4408	0.167	4	110.9788	0.840	10	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]N[6]CH)(CCHH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(Cl)(H){1|C<4>,1|N<3>,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>}	Cl(C[6]C[6]2H)	110.8520	0.000	1	110.8520	0.000	1	110.4408	0.167	4	110.9788	0.840	10	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	Cl(C[6]C[6]2H)	110.6000	0.000	1	110.6000	0.000	1	110.4408	0.167	4	110.9788	0.840	10	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(Cl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	Cl(C[6]C[6]2H)	110.4240	0.000	1	110.4240	0.000	1	110.4408	0.167	4	110.9788	0.840	10	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(Cl)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	Cl(C[6]C[6,6]C[6]H)	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[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	Cl(C[6]C[6,6]C[6]H)	110.9060	0.408	6	110.9060	0.166	6	110.9060	0.166	6	110.9060	0.166	6	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(Cl)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	Cl(C[6]C[6]2H)	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[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	Cl(C[6]C[6]2H)	111.0980	0.000	1	111.0980	0.000	1	111.1825	0.014	2	111.1825	0.014	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2H)	111.2670	0.000	1	111.2670	0.000	1	111.1825	0.014	2	111.1825	0.014	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2	Cl(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	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>}	Cl(C[6]C[6]2H)	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	111.0020	0.114	6	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(Cl)(H){2|C<4>,3|H<1>}	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>}	Cl(C[6]C[6]2H)	111.1830	0.236	2	111.1830	0.056	2	111.1830	0.056	2	111.0020	0.114	6	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	Cl(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(Cl)(H){2|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>}	Cl(C[6]C[6]2H)	110.9750	0.430	3	110.9750	0.185	3	110.9750	0.185	3	111.0020	0.114	6	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:2:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:C-2:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	Cl(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	Cl(C[6]C[6]2C)	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:2:1:	4:2:2:2:	4:	C[6]-4:C[6]-4:C-2:Cl-1:	C[6]-4:O[6]-2:N-2:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	Cl(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]NO)(CN)(Cl){4|C<3>}	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	Cl(C[6]C[6]2C)	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	Cl(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	Cl(C[6]C[6]2C)	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:3:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:C-3:Cl-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2	Cl(C[6]C[6]2C)	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[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>}	Cl(C[6]C[6]2C)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(COO)(Cl){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	Cl(C[6]C[6]2C)	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-3:Cl-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(COO)(Cl)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	Cl(C[6]C[6]2C)	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[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	Cl(C[6]C[6]2C)	104.4790	0.000	1	104.4790	0.000	1	104.4790	0.000	1	104.4790	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	107.1230	0.000	1	107.1230	0.000	1	107.7980	0.911	2	107.7980	0.911	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.4730	0.000	1	108.4730	0.000	1	107.7980	0.911	2	107.7980	0.911	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[5,6]C[6]C)	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>}	Cl(C[6]C[5,6]C[6]C)	109.6245	0.616	2	109.6245	0.379	2	109.6245	0.379	2	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.7260	0.000	1	108.7260	0.000	1	106.5215	9.720	2	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:Br-1:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	104.3170	0.000	1	104.3170	0.000	1	106.5215	9.720	2	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	107.9870	0.000	1	107.9870	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.0720	0.000	1	108.0720	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	105.2670	0.000	1	105.2670	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	107.9000	0.245	2	107.9000	0.060	2	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.6900	0.000	1	108.6900	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	110.9300	0.000	1	110.9300	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.9740	0.000	1	108.9740	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	109.1230	0.000	1	109.1230	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	107.6320	0.000	1	107.6320	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	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	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.9130	0.000	1	108.9130	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.0490	0.000	1	108.0490	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.0890	0.000	1	108.0890	0.000	1	108.2712	1.571	13	108.2232	2.189	20	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	105.9370	0.000	1	105.9370	0.000	1	105.2705	0.888	2	105.2705	0.888	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	104.6040	0.000	1	104.6040	0.000	1	105.2705	0.888	2	105.2705	0.888	2	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	790	0:SP3_SP-NON_SP3	C[6]	C[6]	Cl	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	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)	Cl(C[6]C[6]2C)	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>}	Cl(C[6]C[6]2C)	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	109.4965	1.977	329	109.3713	3.811	495
466	466	811	6:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6,6,6a]	4:4:1:1:	4:4:3:1:	3:3:4:3:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	113.8793	0.076	3	111.7163	5.680	6	111.1064	9.456	10
466	466	811	6:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6,6,6a]	4:4:1:1:	4:4:3:1:	3:3:4:3:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|C<4>,7|C<3>}	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	113.7325	0.153	2	113.7325	0.024	2	113.7325	0.024	2	113.8793	0.076	3	111.7163	5.680	6	111.1064	9.456	10
466	466	811	6:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6,6,6a]	4:4:3:1:	4:4:1:1:	3:3:4:3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|C<4>,7|C<3>}	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	109.4535	0.339	2	109.4535	0.115	2	109.4535	0.115	2	109.5533	0.087	3	111.7163	5.680	6	111.1064	9.456	10
466	466	811	6:SP3_SP3_SP3	C[6,6]	C[6,6]	B[6,6,6a]	4:4:3:1:	4:4:1:1:	3:3:4:3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	109.5533	0.087	3	111.7163	5.680	6	111.1064	9.456	10
466	466	811	6:SP3_SP3_SP3	C[6,6]	C[6]	B[6,6,6a]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[6,6,6a]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H)	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	C[6,6](B[6,6,6a]N[6a,6a]C[6,6]C[6a])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	110.1915	4.128	4	110.1915	17.042	4	110.1915	17.042	4	110.1915	17.042	4	110.1915	17.042	4	111.1064	9.456	10
466	466	813	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N[5a]	3:4:4:4:	4:4:1:1:	3:4:2:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a]-3:C[3x6]-4:N[5a]-2:	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	N[5a](C[5a]N[5a,6]Rh)(C[3x6]C[6,6]3)(N[5a]C[5a,6])	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|Rh<4>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	N[5a](C[5a]N[5a,6]Rh)(C[3x6]C[6,6]3)(N[5a]C[5a,6]){2|C<3>,3|C<4>,6|H<1>}	109.0623	2.408	3	109.0623	5.799	3	109.0623	5.799	3	109.0623	5.799	3	109.2387	0.907	18	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N[5a]	3:4:4:4:	4:4:1:1:	3:4:3:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5a,6a]-3:C[3x6]-4:C[5a]-3:	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H)	C[3x6](N[5a]C[5a,6a]C[5a])(C[6,6]C[3x6]HH)3{1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H){2|C<3>,3|C<4>,7|H<1>}	109.8707	0.104	3	109.8707	0.011	3	109.8707	0.011	3	109.8707	0.011	3	109.2387	0.907	18	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[3x6]	C[6,6]	N[5a]	3:4:4:4:	4:4:1:1:	4:3:2:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5a]-3:N[5a]-2:	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a])	C[3x6](N[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)3{1|C<2>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,3|C<4>,6|H<1>}	109.1248	0.462	12	109.1248	0.214	12	109.1248	0.214	12	109.1248	0.214	12	109.2387	0.907	18	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[4x6]	C[6]	N[5a,6,6]	3:4:3:4:	4:4:1:1:	4:3:3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.0100	0.000	1	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N[5a]	4:4:3:1:	3:3:4:1:	4:3:3:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.7795	2.162	2	113.7795	4.673	2	113.7795	4.673	2	113.7795	4.673	2	111.5538	8.168	4	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[3x6]	N[5a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3x6]-4:C[3x6]-4:C[6a]-3:N[5a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2)	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2){11|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[3x6]C[6a]N[5a])(C[6,6]C[3x6]HH)2(H){3|C<4>,3|H<1>,4|C<3>}	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	109.3280	0.127	2	109.3280	0.016	2	109.3280	0.016	2	109.3280	0.016	2	111.5538	8.168	4	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	C[6,6]-4:C[3x6]-4:N[5a]-3:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	C[6,6](C[6,6]C[3x6]N[5a]H)(C[3x6]C[6,6,6a]2H)(N[5a]C[5a]2)(H){1|N<2>,3|H<1>,7|C<3>}	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.4080	0.526	2	111.4080	0.277	2	111.4080	0.277	2	111.4080	0.277	2	111.4080	0.277	2	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[6]	N[5a,6]	3:3:3:4:	4:4:1:1:	4:3:2:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH){1|S<2>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|C<4>,4|C<3>,5|H<1>}	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	110.7177	1.295	6	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[6]	N[5a,6]	3:3:4:1:	4:4:1:1:	4:3:2:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]N[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	110.7177	1.295	6	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[6]	N[5a,6]	3:4:4:1:	4:3:1:1:	3:4:3:	N[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	110.8800	0.000	1	110.8800	0.000	1	110.8800	0.000	1	110.9225	0.004	2	110.7177	1.295	6	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[6]	N[5a,6]	3:4:4:1:	4:3:1:1:	3:4:3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	110.9650	0.000	1	110.9650	0.000	1	110.9650	0.000	1	110.9225	0.004	2	110.7177	1.295	6	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[6]	N[5a,6]	3:4:4:1:	4:3:1:1:	4:3:2:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	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[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	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[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.7177	1.295	6	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6,6]	C[6]	N[5a,6]	3:4:4:1:	4:4:1:1:	3:4:3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	110.7177	1.295	6	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[4x6]	N[5a]	4:3:3:1:	4:4:4:4:	4:3:2:	C[4x6]-4:N[5a]-3:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H)	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[4x6]C[3x6]2C[6,6])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[4x6](C[3x6]C[5,3x6]C[6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]N[5a]C[6]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>,5|C<4>}	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6,6]	N[5a]	4:3:4:1:	4:4:4:1:	4:3:2:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HS)(C[6]N[5a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:2:4:1:	4:4:4:1:	3:3:4:	N[5a,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6,6a])(C[6]C[6]2H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[6]N[5a,6]O[6]H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	113.2150	0.000	1	113.2150	0.000	1	113.2150	0.000	1	113.2150	0.000	1	113.2150	0.000	1	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2{1|N<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H){4|H<1>,7|C<3>}	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	3:4:1:1:	4:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	4:4:1:1:	3:4:2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.2710	0.011	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	110.2710	0.011	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	109.8010	0.139	2	109.8010	0.019	2	109.8010	0.019	2	109.8010	0.019	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	4:4:1:1:	4:3:2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(Cl)(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	4:4:4:3:	3:4:2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	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[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:2:1:1:	3:4:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]S[6]HH)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	112.0108	2.087	4	112.0108	4.357	4	112.0108	4.357	4	112.0108	4.357	4	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2{1|Fe<10>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,3|C<3>,3|H<1>}	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	112.5420	0.470	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	112.5420	0.470	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	3:4:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	112.1433	0.594	3	112.1433	0.353	3	112.1433	0.353	3	112.1433	0.353	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	113.6370	0.000	1	113.6370	0.000	1	113.6387	0.152	3	113.6387	0.152	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	114.0290	0.000	1	113.6395	0.303	2	113.6387	0.152	3	113.6387	0.152	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	113.2500	0.000	1	113.6395	0.303	2	113.6387	0.152	3	113.6387	0.152	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	4:3:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|C<4>,3|H<1>}	112.4545	0.408	2	112.2390	0.223	3	112.2390	0.223	3	112.2390	0.223	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:1:1:	4:3:3:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<4>}	111.8080	0.000	1	112.2390	0.223	3	112.2390	0.223	3	112.2390	0.223	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:2:1:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.6375	0.999	2	112.6375	0.998	2	112.0150	1.662	3	112.0150	1.662	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:2:1:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	110.7700	0.000	1	110.7700	0.000	1	112.0150	1.662	3	112.0150	1.662	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:2:1:	3:4:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[6](N[5a]C[5a,6a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:2:1:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	112.1958	0.650	4	112.1958	0.422	4	112.1653	1.701	11	112.3311	1.876	12	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:2:1:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	112.1479	1.620	7	112.1479	2.623	7	112.1653	1.701	11	112.3311	1.876	12	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:2:1:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	112.3311	1.876	12	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:4:	4:4:2:1:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	111.0370	0.000	1	111.0370	0.000	1	110.4590	0.668	2	110.4590	0.668	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:2:4:	4:4:2:1:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.8810	0.000	1	109.8810	0.000	1	110.4590	0.668	2	110.4590	0.668	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:3:1:	3:4:2:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:3:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|C<3>,3|C<4>,3|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>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|O<1>,2|C<4>,4|H<1>}	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:3:1:	4:4:1:1:	4:2:2:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	3:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	110.7035	1.064	2	110.7035	1.133	2	110.7035	1.133	2	110.4917	0.701	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	3:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H)	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	110.4917	0.701	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:3:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>}	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.6190	0.014	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:3:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	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[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.5360	0.000	1	111.5360	0.000	1	111.5360	0.000	1	111.6190	0.014	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:3:1:1:	4:2:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	N[5a](C[6]C[6]2H)(N[5a]C[5a])2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])2{1|C<4>,2|C<3>,5|H<1>}	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:3:4:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(CC3)(H)	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	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[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>}	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,2|C<4>,3|H<1>}	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:3:4:2:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	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[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>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	110.9215	1.047	2	110.9215	1.097	2	110.9215	1.097	2	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.7930	0.259	2	110.7930	0.067	2	112.1778	1.235	16	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	113.5178	0.884	4	113.5178	0.781	4	112.1778	1.235	16	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	111.3750	0.382	2	111.3750	0.146	2	112.1778	1.235	16	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	112.0547	0.711	8	112.0547	0.505	8	112.1778	1.235	16	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	111.2940	0.000	1	111.2940	0.000	1	111.5209	1.112	7	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	110.9780	0.658	2	110.9780	0.432	2	111.5209	1.112	7	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H){1|C<3>,2|C<4>,4|H<1>}	110.8080	0.576	2	110.8080	0.331	2	111.5209	1.112	7	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(H){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	112.8900	0.707	2	112.8900	0.500	2	111.5209	1.112	7	111.8934	1.268	25	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,1|W<7>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,2|C<4>,5|H<1>}	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	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[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,5|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	111.3790	1.410	2	111.3790	1.988	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6,6a]ClH)(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	111.8090	0.000	1	111.8090	0.000	1	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	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[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,2|C<4>,3|H<1>}	108.7460	0.000	1	108.7460	0.000	1	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,5|H<1>}	111.1520	0.250	2	111.1520	0.063	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){3|C<4>,4|H<1>}	111.1590	0.486	2	111.1590	0.237	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	110.0725	0.862	2	110.0725	0.743	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	110.4545	0.823	4	110.4545	0.677	4	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]N[5a]C[5])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	110.1540	0.942	2	110.1540	0.887	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|N<3>,3|C<4>,5|H<1>}	110.3540	0.433	2	110.3540	0.187	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a]){2|C<4>,4|H<1>}	110.9350	1.085	2	110.9350	1.177	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	111.1155	0.100	2	111.1155	0.010	2	110.6825	0.783	22	110.7443	0.770	24	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|N<2>,3|H<1>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.1630	0.000	1	109.1630	0.000	1	109.9475	1.231	2	109.9475	1.231	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	4:2:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[6]C[6]2H)(N[5a]C[5a])2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|N<2>,4|H<1>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])2{1|C<4>,2|C<3>,5|H<1>}	110.7320	0.000	1	110.7320	0.000	1	109.9475	1.231	2	109.9475	1.231	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:2:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	111.1965	0.866	2	111.1965	0.750	2	111.1965	0.750	2	111.1965	0.750	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:3:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]CH)(CCO)(H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	114.0780	8.553	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:3:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1	114.0780	8.553	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:3:1:	4:2:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	C[6](N[5a]N[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:4:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	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[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)(H){1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:4:4:	3:4:2:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a]-3:C[6]-4:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HW)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	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[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>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,3|H<1>,4|C<4>}	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:2:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC)	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2C)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)2(CC){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2C){2|C<3>,2|C<4>,4|H<1>}	109.9845	2.415	2	109.9845	5.831	2	109.9845	5.831	2	109.9845	5.831	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	3:4:4:3:	4:4:1:1:	2:2:4:	N[5a]-3:C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:H-1:H-1:	N[5a]-2:N[5a]-2:C[6]-4:	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO)	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N)	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N){2|C<3>,2|C<4>,4|H<1>}	111.6975	0.206	2	111.6975	0.042	2	111.6975	0.042	2	111.6975	0.042	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:3:1:1:	4:3:2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.1925	1.200	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:3:1:1:	4:3:2:	C[6,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[6](C[6,6]C[6,6]C[6]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	110.1925	1.200	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.4778	0.338	4	111.4778	0.114	4	111.4778	0.114	4	111.9450	1.177	5	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:3:4:1:	3:3:4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	111.9450	1.177	5	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.9070	2.032	2	109.9070	4.130	2	112.9286	5.223	7	112.9286	5.223	7	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.3025	0.604	4	114.3025	0.365	4	112.9286	5.223	7	112.9286	5.223	7	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	113.4760	0.000	1	113.4760	0.000	1	112.9286	5.223	7	112.9286	5.223	7	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:4:1:1:	4:2:2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2	C[6](C[5,6]O[5,6]C[5]H)(N[5a]N[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.6133	1.102	3	111.6133	1.215	3	111.6133	1.215	3	111.6133	1.215	3	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5,6]O[5,6]C[5]H)(N[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>,3|O<2>}	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:3:4:1:	4:4:3:1:	3:3:4:	C[6]-4:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.6910	0.878	2	112.6910	0.771	2	112.6910	0.771	2	112.6910	0.771	2	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP2_SP3	C[6]	C[6]	N[5a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:C[6]-4:N[5a]-3:H-1:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]C[6a]H)(N[5a]C[5a]N[5a])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	112.5370	0.000	1	111.7117	2.011	136	111.4172	2.569	170
466	466	813	0:SP3_SP3_SP3	C[4x6]	C[6]	N[5a,6,6]	3:4:3:4:	4:4:1:1:	4:3:3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6,6]	C[6]	N[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	115.5300	0.000	1	115.5300	0.000	1	115.5300	0.000	1	114.8060	1.048	2	113.5147	2.901	4	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6,6]	C[6]	N[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	N[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	114.0820	0.000	1	114.0820	0.000	1	114.0820	0.000	1	114.8060	1.048	2	113.5147	2.901	4	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6,6]	C[6]	N[5a,6]	3:4:3:1:	4:3:1:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(C[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	113.5147	2.901	4	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6,6]	C[6]	N[5a,6]	3:4:4:1:	4:4:2:1:	4:3:3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	113.5147	2.901	4	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6]	C[6]	N[5a]	3:3:4:1:	4:3:3:1:	4:3:3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	112.5970	4.030	8	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6]	C[6]	N[5a]	3:4:2:1:	4:4:2:1:	4:3:2:	N[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5a]C[5a]O[5a])(C[6]C[6]HO)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	112.5970	4.030	8	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6]	C[6]	N[5a]	3:4:3:1:	4:3:3:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]Si)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(C[6]C[6]2H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	110.7530	0.000	1	112.5970	4.030	8	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6]	C[6]	N[5a]	3:4:3:1:	4:3:4:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	112.5970	4.030	8	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H)	C[6](N[5a]C[5a,5a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,3|N<3>,4|H<1>}	112.2705	0.274	2	112.2705	0.075	2	112.2705	0.075	2	111.7377	0.889	3	112.5970	4.030	8	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	111.7377	0.889	3	112.5970	4.030	8	112.7671	3.503	13
466	466	813	0:SP3_SP3_SP3	C[6]	C[6]	N[5a]	3:4:4:1:	4:4:3:1:	3:3:4:	N[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[6](N[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	112.5970	4.030	8	112.7671	3.503	13
466	466	813	6:SP3_SP2_SP3	C[4x6]	C[3x6]	N[5a,6,6]	3:4:3:3:	4:4:3:4:	4:3:3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	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[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)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	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[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>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	104.1470	0.000	1	104.1470	0.000	1	104.1470	0.000	1	104.1470	0.000	1	104.2950	0.044	2	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[4x6]	C[3x6]	N[5a,6,6]	3:4:3:4:	4:4:4:1:	4:3:3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	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)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|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>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	104.4430	0.000	1	104.4430	0.000	1	104.4430	0.000	1	104.4430	0.000	1	104.2950	0.044	2	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[3x6]	N[5a,6]	3:4:3:1:	4:4:4:1:	3:3:4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|C<3>,3|H<1>,6|C<4>}	108.0800	0.000	1	108.4035	0.209	2	108.4035	0.209	2	108.4035	0.209	2	108.8623	0.736	3	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[3x6]	N[5a,6]	3:4:3:1:	4:4:4:1:	3:3:4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|H<1>,3|C<3>,6|C<4>}	108.7270	0.000	1	108.4035	0.209	2	108.4035	0.209	2	108.4035	0.209	2	108.8623	0.736	3	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[3x6]	N[5a,6]	3:4:4:1:	4:3:4:2:	3:4:3:	N[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]N[5a,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,3|C<3>,9|H<1>}	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	108.8623	0.736	3	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:2:1:	4:4:2:1:	4:3:2:	N[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]N[5a,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|O<2>,2|C<4>,4|H<1>}	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:2:4:	4:4:1:1:	4:3:2:	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:C[5a,6]-3:N[5a]-2:	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	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	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>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	106.6780	0.000	1	106.2354	0.112	5	106.2354	0.112	5	106.2354	0.112	5	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:2:4:	4:4:1:1:	4:3:2:	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:C[5a,6]-3:N[5a]-2:	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	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	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>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.1248	0.260	4	106.2354	0.112	5	106.2354	0.112	5	106.2354	0.112	5	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:3:1:	4:4:1:1:	3:4:3:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	107.2017	0.210	3	107.2017	0.044	3	107.2017	0.044	3	107.2017	0.044	3	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:3:1:	4:4:4:1:	3:4:3:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	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[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(CCHH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	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[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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){1|S<4>,3|C<3>,3|H<1>,4|C<4>}	108.6410	1.075	2	108.6410	1.155	2	108.6410	1.155	2	108.6410	1.155	2	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:4:1:	3:4:4:2:	3:4:3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[5a,6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.7800	0.000	1	107.7800	0.000	1	107.7800	0.000	1	107.7800	0.000	1	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:4:1:	4:3:2:4:	4:3:2:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:C-4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	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[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)(O[6]C[6])(CH3)	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	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[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>}	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:4:1:	4:4:3:2:	3:4:3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])	C[6,6](N[5a,6]C[5,5a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	108.4130	0.000	1	108.4130	0.000	1	108.4130	0.000	1	108.4130	0.000	1	107.3303	1.000	15	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6,6]	N[5a,6]	3:4:3:1:	4:3:4:2:	4:3:2:	N[5a,6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	C[6]-4:C[5a,6]-3:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(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)	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|N<2>,3|H<1>,4|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>}	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	104.6190	0.000	1	106.9173	3.994	3	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6,6]	N[5a,6]	3:4:4:4:	4:4:4:1:	3:3:4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	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)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	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>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	108.0665	0.254	2	108.0665	0.064	2	108.0665	0.064	2	108.0665	0.064	2	106.9173	3.994	3	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:3:4:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH){2|O<2>,5|H<1>,6|C<3>}	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2{1|N<2>,5|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a]){1|C<4>,2|H<1>,6|C<3>}	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:2:1:1:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|C<3>,4|H<1>}	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	105.9120	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){4|H<1>,5|C<3>}	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:3:1:1:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:3:4:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]C)(CHHO)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	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[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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:4:2:1:	3:3:4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	110.3835	0.489	2	110.3835	0.239	2	110.3835	0.239	2	110.3835	0.239	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:4:2:1:	3:4:3:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|D<1>,1|H<1>,1|O<2>,3|C<3>}	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	110.5570	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:4:4:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHN)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	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[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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	110.9660	0.000	1	110.9660	0.000	1	109.6467	1.198	4	109.6467	1.198	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:4:4:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6]CH)(CHHO)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	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[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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	108.9870	0.000	1	108.9870	0.000	1	109.6467	1.198	4	109.6467	1.198	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:3:4:1:	4:4:4:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C[6](C[6]N[5a,6]C[5a]H)(C[6]C[6a]N[6]H)(CHHO)(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	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[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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	109.3170	1.096	2	109.3170	1.201	2	109.6467	1.198	4	109.6467	1.198	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:3:4:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	N[5a,6](N[5a,6]C[5a,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	113.1153	2.399	3	113.1153	5.753	3	113.1153	5.753	3	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	114.9290	0.000	1	114.9290	0.000	1	111.8265	4.723	4	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,4|C<3>}	111.7190	0.000	1	111.7190	0.000	1	111.8265	4.723	4	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	110.4810	0.000	1	110.4810	0.000	1	111.8265	4.723	4	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	110.1770	0.000	1	110.1770	0.000	1	111.8265	4.723	4	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	109.9320	0.000	1	109.9320	0.000	1	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	109.8740	0.000	1	109.8740	0.000	1	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	108.6960	0.000	1	108.8603	0.363	9	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<3>,3|H<1>}	108.5380	0.000	1	108.8603	0.363	9	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	108.9200	0.822	2	108.8603	0.363	9	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	108.9338	0.719	5	108.8603	0.363	9	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|S<4>,3|H<1>,4|C<3>}	109.1940	0.000	1	109.3855	0.073	2	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	109.5770	0.000	1	109.3855	0.073	2	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	108.0230	0.000	1	108.7630	1.095	2	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	109.5030	0.000	1	108.7630	1.095	2	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	107.7680	0.000	1	107.7680	0.000	1	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	108.8750	0.000	1	108.8750	0.000	1	108.9699	0.488	17	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	109.3530	0.424	2	108.7045	0.756	4	108.9015	0.494	8	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	108.0560	0.638	2	108.7045	0.756	4	108.9015	0.494	8	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	109.0985	0.540	4	109.0985	0.292	4	108.9015	0.494	8	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2{1|C<4>,1|S<1>,1|S<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.3673	0.357	3	109.3673	0.127	3	109.3673	0.127	3	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|Cl<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	109.8780	0.000	1	109.8780	0.000	1	109.7220	0.049	2	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|Cl<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	109.5660	0.000	1	109.5660	0.000	1	109.7220	0.049	2	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	108.9880	0.000	1	108.9880	0.000	1	110.4579	2.713	7	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	110.7028	1.659	6	110.7028	2.751	6	110.4579	2.713	7	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|H<1>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.7926	2.835	45	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	108.0685	0.110	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|H<1>,3|N<3>}	107.9425	0.144	2	107.9425	0.021	2	108.1433	0.131	3	108.0685	0.110	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.5450	0.000	1	108.5450	0.000	1	108.1433	0.131	3	108.0685	0.110	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2{5|C<3>}	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	109.8360	0.123	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	3:4:4:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2{5|C<3>}	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.8360	0.123	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{4|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.7765	1.114	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	107.7765	1.114	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{4|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	106.5360	0.000	1	106.5360	0.000	1	107.2290	0.960	2	107.7765	1.114	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	107.9220	0.000	1	107.9220	0.000	1	107.2290	0.960	2	107.7765	1.114	4	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:2:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2{3|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.0875	0.009	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:2:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|N<2>,2|C<3>}	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	107.0875	0.009	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:C[6]-3:F-1:F-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2{3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,2|C<3>,2|F<1>}	110.0705	0.824	2	110.0705	0.679	2	110.0705	0.679	2	109.9802	0.281	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2{3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	109.9802	0.281	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.4770	0.000	1	109.4770	0.000	1	109.6845	0.086	2	109.9802	0.281	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	109.8920	0.000	1	109.8920	0.000	1	109.6845	0.086	2	109.9802	0.281	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2{1|N<2>,2|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	107.6125	1.138	2	107.6125	1.294	2	107.6125	1.294	2	107.8737	0.852	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	107.8737	0.852	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	110.3105	4.266	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2{1|C<4>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){3|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	110.3105	4.266	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:2:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|C<3>,4|H<1>}	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:3:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,5|C<3>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	109.9230	0.115	3	109.9230	0.013	3	109.9230	0.013	3	109.9230	0.013	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:3:4:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	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[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<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>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	110.8350	0.000	1	110.8350	0.000	1	110.8350	0.000	1	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2{1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	112.2480	0.000	1	112.2480	0.000	1	112.2480	0.000	1	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	108.5610	0.148	2	108.5610	0.022	2	107.9943	0.974	3	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.8610	0.000	1	106.8610	0.000	1	107.9943	0.974	3	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>}	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	109.0497	0.215	3	109.0497	0.046	3	109.0497	0.046	3	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	109.1315	0.537	2	109.1723	0.149	3	109.8150	2.843	5	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	109.2540	0.000	1	109.1723	0.149	3	109.8150	2.843	5	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	112.7760	0.000	1	112.7760	0.000	1	109.8150	2.843	5	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	108.7820	0.000	1	108.7820	0.000	1	109.8150	2.843	5	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	110.5180	0.000	1	110.5180	0.000	1	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	110.5160	0.000	1	110.8818	0.459	6	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,5|H<1>}	110.6995	0.463	2	110.8818	0.459	6	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	111.6565	0.097	2	110.8818	0.459	6	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,3|H<1>}	110.0630	0.000	1	110.8818	0.459	6	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	109.5820	0.000	1	109.5820	0.000	1	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	108.5275	0.199	2	108.2253	0.294	3	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|Co<5>,2|C<3>}	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	107.6210	0.000	1	108.2253	0.294	3	110.0061	1.744	11	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2{1|O<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	110.3560	0.000	1	110.3560	0.000	1	109.8875	0.592	6	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.0730	0.000	1	110.0730	0.000	1	109.8875	0.592	6	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	111.0020	0.000	1	111.0020	0.000	1	109.8875	0.592	6	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	108.8310	0.000	1	109.2980	0.210	3	109.8875	0.592	6	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.7460	0.000	1	109.2980	0.210	3	109.8875	0.592	6	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	109.3170	0.000	1	109.2980	0.210	3	109.8875	0.592	6	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.7187	1.626	34	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	110.9730	0.000	1	110.9730	0.000	1	109.1084	2.567	5	109.1084	2.567	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.8285	0.506	2	109.8285	0.256	2	109.1084	2.567	5	109.1084	2.567	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	107.3220	0.000	1	107.4560	0.036	2	109.1084	2.567	5	109.1084	2.567	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	107.5900	0.000	1	107.4560	0.036	2	109.1084	2.567	5	109.1084	2.567	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	109.5753	1.619	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	109.5753	1.619	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	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>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	109.5753	1.619	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:2:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	107.6000	0.634	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:2:1:	3:4:2:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	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[6](C[6]N[5a,6]HH)(CN[5a]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|O<2>,4|H<1>}	107.9700	0.669	2	107.9700	0.447	2	107.9700	0.447	2	107.6000	0.634	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	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[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(CH3)(H){1|O<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.4470	0.018	2	110.4470	0.000	2	109.6143	0.569	6	109.4046	0.837	11	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.7200	0.000	1	109.1980	0.256	4	109.6143	0.569	6	109.4046	0.837	11	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.0240	0.449	3	109.1980	0.256	4	109.6143	0.569	6	109.4046	0.837	11	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO){2|C<4>,3|C<3>,3|H<1>}	109.9207	0.370	3	109.9207	0.137	3	109.9207	0.137	3	109.4046	0.837	11	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:2:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2{1|N<3>,5|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	108.0015	0.501	2	108.0015	0.251	2	108.0015	0.251	2	109.4046	0.837	11	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[5a,6]CH)(H)2{1|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:2:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H)	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	104.9760	0.516	2	104.9760	0.266	2	104.9760	0.266	2	104.9760	0.266	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H){2|C<4>,3|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|N<3>,6|H<1>}	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:3:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H){3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,4|H<1>}	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:3:2:1:	3:4:2:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,4|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	105.8250	0.000	1	105.8250	0.000	1	105.8250	0.000	1	105.8250	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:3:3:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	108.6263	0.537	3	108.6263	0.289	3	108.6263	0.289	3	108.7210	0.638	6	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:3:3:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	108.7210	0.638	6	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:3:3:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	109.1660	1.351	2	109.1660	1.824	2	109.1660	1.824	2	108.7210	0.638	6	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:3:4:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C[6a]H)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	109.0415	0.050	2	109.0415	0.003	2	109.0415	0.003	2	109.1883	0.066	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:N-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.1883	0.066	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.8860	0.102	2	107.7627	0.051	3	107.7627	0.051	3	107.7627	0.051	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.5160	0.000	1	107.7627	0.051	3	107.7627	0.051	3	107.7627	0.051	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:3:2:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-3:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH){3|C<3>,3|C<4>}	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	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	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:3:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	107.2950	0.098	2	107.2950	0.010	2	107.5408	0.786	5	107.5408	0.786	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:3:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	108.4035	0.060	2	108.4035	0.004	2	107.5408	0.786	5	107.5408	0.786	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:3:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	106.3070	0.000	1	106.3070	0.000	1	107.5408	0.786	5	107.5408	0.786	5	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:3:3:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:3:4:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:3:4:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:4:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	108.6520	0.341	2	108.6520	0.116	2	108.6520	0.116	2	108.7527	0.088	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:4:2:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	108.7527	0.088	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:4:2:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	106.6895	0.911	2	106.6895	0.831	2	106.6895	0.831	2	106.6895	0.831	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:2:	3:4:3:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	108.2347	0.976	3	108.2347	0.953	3	108.2347	0.953	3	108.2347	0.953	3	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:2:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	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	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,5|H<1>}	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:2:	4:4:3:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	106.3290	0.000	1	106.3290	0.000	1	106.1270	0.082	2	106.1270	0.082	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP2_SP3	C[6]	C[6]	N[5a,6]	3:4:4:2:	4:4:3:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	105.9250	0.000	1	105.9250	0.000	1	106.1270	0.082	2	106.1270	0.082	2	109.0965	2.602	183	108.8861	2.904	206
466	466	813	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[5a,6,6]	3:3:4:4:	4:4:1:1:	4:3:3:	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:N[5a,6,6]-3:C[5a]-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)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	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>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	104.7780	0.000	1	104.7780	0.000	1	104.7780	0.000	1	104.7780	0.000	1	103.8435	1.747	2	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[5a,6,6]	3:3:4:4:	4:4:4:3:	4:3:3:	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:N[5a,6,6]-3:C[5a]-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)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO)	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	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>}	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,4|C<4>}	102.9090	0.000	1	102.9090	0.000	1	102.9090	0.000	1	102.9090	0.000	1	103.8435	1.747	2	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[4x6]	C[3x6]	N[5a,6,6]	3:4:3:3:	4:4:3:4:	4:3:3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-3:	C[4x6]-4:C[3x6]-4:C[6]-3:C-4:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	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[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)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	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[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>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|H<1>,2|O<1>,3|C<4>,4|C<3>}	105.2010	0.000	1	105.2010	0.000	1	105.2010	0.000	1	105.2010	0.000	1	105.0135	0.070	2	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[4x6]	C[3x6]	N[5a,6,6]	3:4:3:4:	4:4:4:1:	4:3:3:	N[5a,6,6]-3:C[3x6]-4:C[6,6]-3:C[6]-4:	C[4x6]-4:C[3x6]-4:C[6]-4:H-1:	C[4x6]-4:N[5a,6,6]-3:C[5a]-3:	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH)	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)	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O)	C[4x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|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>}	N[5a,6,6](C[4x6]C[3x6]C[6,6]C[6])(N[5a,6,6]C[4x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	104.8260	0.000	1	104.8260	0.000	1	104.8260	0.000	1	104.8260	0.000	1	105.0135	0.070	2	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[5a,6]	3:4:4:1:	4:3:4:1:	4:3:3:	N[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H)	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[3,6]HO)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	N[5a,6](C[6,6]C[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[6]	C[6,6]	N[5a,6]	3:4:4:4:	4:4:4:1:	3:3:4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	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)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	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>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	109.3317	0.361	4	108.8966	1.218	5	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[6]	C[6]	N[5a,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]S[5a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>}	109.6300	0.091	3	109.6300	0.008	3	109.6300	0.008	3	109.3317	0.361	4	108.8966	1.218	5	107.1128	5.906	11
466	466	813	6:SP3_SP3_SP3	C[6]	C[6]	N[5a,6]	3:4:4:1:	4:4:4:2:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	N[5a,6]-3:C[5a]-3:C[6]-4:	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)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	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>}	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	108.8966	1.218	5	107.1128	5.906	11
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:4:2:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,5,6]-4:C[3x6]-4:N[5]-2:	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a])	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2{1|N<2>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3x6]C[6,6]N[4x6]H)(N[5]C[5,6a]){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	Si[4,5]-4:C[3x6]-4:P[5]-3:	C[3x6](C[5]Si[4,5]P[5])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C)	C[3x6](C[5]Si[4,5]P[5])(C[6,6]C[3x6]HH)3{1|Si<4>,3|H<1>,3|N<3>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|P<3>,2|C<4>,8|H<1>}	C[5](Si[4,5]N[4]2N[5])(C[3x6]C[6,6]3)(P[5]Si[5]C){1|Si<4>,1|C<3>,6|H<1>,7|C<4>}	111.6713	0.671	6	111.6713	0.450	6	111.6713	0.450	6	111.6713	0.450	6	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-2:O[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5])(O[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){3|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]C[5])(O[5]C[5]){1|C<3>,4|C<4>,8|H<1>}	110.3367	1.729	3	110.3367	2.991	3	109.9862	0.938	11	110.1238	0.824	14	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-2:O[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5])	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]O[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5]){1|S<1>,4|C<4>,6|H<1>}	109.8547	0.643	8	109.8547	0.413	8	109.9862	0.938	11	110.1238	0.824	14	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:2:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-2:P[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5])	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]N[5])(P[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]P[5]){2|N<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|P<2>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]N[5])(P[5]N[5]){3|C<4>,6|H<1>}	110.6283	0.423	3	110.6283	0.179	3	110.6283	0.179	3	110.1238	0.824	14	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,3|C<4>,7|H<1>}	110.4379	1.799	9	110.4675	2.659	24	110.3976	3.136	51	110.3976	3.136	51	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]C[5]C)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	110.4853	1.587	15	110.4675	2.659	24	110.3976	3.136	51	110.3976	3.136	51	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]C[5]N)(N[5]N[5]){1|S<1>,4|C<4>,6|H<1>}	110.1489	1.604	9	110.1489	2.574	9	110.3976	3.136	51	110.3976	3.136	51	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,3|C<4>,7|H<1>}	110.2297	2.211	6	110.4288	4.373	18	110.3976	3.136	51	110.3976	3.136	51	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:N[5]-3:N[5]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(C[5]N[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|C<3>,4|C<4>,6|H<1>}	110.5283	2.122	12	110.4288	4.373	18	110.3976	3.136	51	110.3976	3.136	51	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5]-3:N[5]-3:	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,1|C<3>,3|C<4>,6|H<1>}	110.2353	1.105	3	110.2353	1.221	3	110.3250	1.632	5	110.3250	1.632	5	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5]	4:4:4:3:	4:4:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[5]-3:N[5]-3:	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5])	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O)	C[3x6](C[6,6]C[3x6]HH)3(C[5]C[5]N[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O){3|C<4>,6|H<1>}	110.4595	2.006	2	110.4595	4.024	2	110.3250	1.632	5	110.3250	1.632	5	110.4430	2.492	76	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[4x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6,6]-3:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[4x6]-4:N[5]-2:	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5])	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	113.8857	0.236	3	113.8857	0.056	3	113.8857	0.056	3	113.8857	0.056	3	113.8857	0.056	3	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3x6]-4:C[3x6]-4:C[5]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5]-4:C[5]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H)	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H)	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)(H){10|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[3x6]C[5]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,3|H<1>,4|C<4>}	C[5](C[6,6]C[3x6]2H)(C[5]C[5]C[6]H)(C[5]C[5]H){1|O<2>,4|H<1>,6|C<4>}	113.5695	1.217	2	113.5695	1.481	2	113.5695	1.481	2	113.5695	1.481	2	113.5695	1.481	2	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:3:1:	3:4:3:3:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	116.4493	8.937	3	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:3:1:	3:4:3:3:	4:4:3:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	116.4493	8.937	3	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-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)	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[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H)	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[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	116.4493	8.937	3	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:3:2:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,5|C<3>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|C<3>,4|H<1>}	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:3:4:3:	4:4:4:4:	4:3:2:	C[5,6]-3:C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[5,6]-3:O[5]-2:	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[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5])	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[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5]){2|O<1>,3|H<1>,5|C<4>}	110.7453	0.164	3	110.7453	0.027	3	110.7453	0.027	3	110.7453	0.027	3	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:3:4:4:	4:3:1:1:	4:4:2:	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[5,6]-4:C[6,6]-4:N[5]-2:	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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.4342	0.244	5	111.4342	0.060	5	111.5347	0.108	6	111.5347	0.108	6	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:3:4:4:	4:3:1:1:	4:4:2:	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[5,6]-4:C[6,6]-4:N[5]-2:	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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.0370	0.000	1	112.0370	0.000	1	111.5347	0.108	6	111.5347	0.108	6	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:3:4:4:	4:4:3:1:	4:3:2:	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[5,6]-3:N[5]-2:	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[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	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[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|H<1>,4|C<3>}	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5]){2|O<1>,4|C<4>,4|H<1>}	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:2:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	111.5290	0.000	1	111.5290	0.000	1	111.4224	0.447	5	111.4224	0.447	5	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	111.3958	0.769	4	111.3958	0.592	4	111.4224	0.447	5	111.4224	0.447	5	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	111.2050	0.000	1	111.2050	0.000	1	110.7401	1.786	7	110.7401	1.786	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	110.6690	0.000	1	110.6690	0.000	1	110.7401	1.786	7	110.7401	1.786	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	111.5410	1.080	2	111.7030	0.662	3	110.7401	1.786	7	110.7401	1.786	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	112.0270	0.000	1	111.7030	0.662	3	110.7401	1.786	7	110.7401	1.786	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	109.8070	0.000	1	109.8070	0.000	1	110.7401	1.786	7	110.7401	1.786	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.3910	0.000	1	108.3910	0.000	1	110.7401	1.786	7	110.7401	1.786	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	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[3,5,6]-4:C[6,6]-4:C[5]-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)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[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[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	110.6307	0.859	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	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[5,6,6]-4:C[6,6]-4:C[5]-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)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[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[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	109.7350	0.000	1	109.7350	0.000	1	109.7350	0.000	1	110.6307	0.859	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	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[5,6]-4:C[6,6]-4:C[5]-3:	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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	110.5680	0.000	1	110.5680	0.000	1	110.5680	0.000	1	110.6307	0.859	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	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:C[5,6]-4:C[5]-3:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	110.2810	0.225	2	110.2810	0.051	2	110.2810	0.051	2	110.6307	0.859	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	111.5855	1.471	2	111.5855	2.165	2	111.5855	2.165	2	110.6307	0.859	7	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,7|H<1>}	112.5355	0.049	2	112.5355	0.002	2	112.5355	0.002	2	112.5355	0.002	2	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,8|H<1>}	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	114.6085	7.869	2	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	116.5920	0.000	1	116.5920	0.000	1	116.5920	0.000	1	114.6085	7.869	2	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	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[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	113.1025	0.155	2	113.1025	0.024	2	113.1025	0.024	2	113.1025	0.024	2	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	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[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	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[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2{3|C<3>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	115.4663	7.127	4	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-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]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	115.4663	7.127	4	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	114.4670	0.532	2	114.4670	0.283	2	114.4670	0.283	2	115.4663	7.127	4	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:2:	4:4:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:4:	4:3:2:1:	4:4:3:	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:C[5,6]-4:C[5]-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)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[5,6]-3:C[5]-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)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:4:3:	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:C[5,6]-4:C[5]-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)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.4930	0.000	1	108.4930	0.000	1	109.9917	1.415	4	109.9917	1.415	4	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:4:3:	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:C[5,6]-4:C[5]-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)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	111.1940	0.000	1	111.1940	0.000	1	109.9917	1.415	4	109.9917	1.415	4	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	4:3:4:4:	4:4:2:1:	4:4:3:	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:C[5,6]-4:C[5]-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)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	110.1400	0.713	2	110.1400	0.508	2	109.9917	1.415	4	109.9917	1.415	4	111.9715	4.564	51	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:3:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	110.9685	1.355	4	110.9685	1.836	4	110.9685	1.836	4	110.9685	1.836	4	112.2967	5.219	9	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6]C[6]2H){1|C<4>,2|C<3>,8|H<1>}	112.5170	1.766	4	112.5170	3.119	4	112.5170	3.119	4	112.5170	3.119	4	112.2967	5.219	9	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:3:4:	3:4:4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	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[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[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	112.2967	5.219	9	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	2:4:3:1:	4:2:1:1:	4:3:3:	O[6]-2:C[6]-4:C[5]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[5]-3:N[5]-3:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H)	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	C[5](C[6]C[6]O[6]H)(N[5]C[5]H)2{1|C<3>,1|O<2>,6|H<1>}	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	2:4:3:2:	4:2:1:1:	4:3:2:	O[6]-2:C[6]-4:C[5]-3:O-2:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:N[5]-3:N[5]-2:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5])	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5](C[6]C[6]O[6]O)(N[5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,6|H<1>}	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:3:3:4:	4:4:1:1:	4:2:2:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-2:O[5]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:3:2:	C[5a]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:N[5]-2:	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5])	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	111.1020	0.247	2	111.1020	0.061	2	111.1020	0.061	2	111.1020	0.061	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2{1|Co<5>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Co)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	110.4625	0.998	8	110.4625	0.997	8	110.4525	0.938	16	110.4525	0.938	16	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])2(C[6]C[6]HH)2{1|Fe<5>,2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](C[6]C[5]C[6]2)(N[5]C[3,5]Fe)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	110.4425	1.006	8	110.4425	1.012	8	110.4525	0.938	16	110.4525	0.938	16	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:1:	4:3:1:1:	3:4:3:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:F-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	112.7545	1.076	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:1:	4:3:1:1:	3:4:3:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.7545	1.076	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:3:1:	4:3:1:1:	4:4:2:	C[5]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:S[5]-2:	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5])	C[6](C[5]C[5]S[5])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(S[5]C[5]){3|C<3>,4|H<1>}	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	3:4:1:1:	3:4:3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6,6a]HH)(C[6]C[6]HW)(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H){1|C<4>,1|W<7>,3|C<3>,4|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	3:4:4:4:	3:4:3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	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[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[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:3:4:1:	3:4:2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:N[5]-2:	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5])	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[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5]){1|O<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	107.4550	0.000	1	107.4550	0.000	1	107.4550	0.000	1	107.4550	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[5]C[5,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,8|C<4>}	111.7590	1.674	2	111.7590	2.804	2	111.7590	2.804	2	111.7590	2.804	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:S[5]-2:	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5])	C[6](C[5]C[5,6,6]S[5])(C[6]C[6]HH)2(H){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6]C[6]2H)(S[5]S[5]){5|C<4>,5|H<1>}	110.1345	2.894	2	110.1345	8.376	2	110.1345	8.376	2	110.1345	8.376	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,4|C<4>,5|H<1>}	112.1045	0.722	2	112.1045	0.521	2	112.1045	0.521	2	112.1045	0.521	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5])	C[6](C[5]N[5]O[5])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	110.3030	1.761	2	110.3030	3.100	2	110.3030	3.100	2	110.3030	3.100	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<4>,5|H<1>}	111.6182	1.422	13	111.6182	2.023	13	111.6182	2.023	13	111.6182	2.023	13	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[5]-3:C[6]-4:	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[5]C[3,5,6,6]C[5])(C[6]C[6,6]HH)2(H){1|C<3>,2|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[3x6])(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,7|H<1>,8|C<4>}	110.7930	0.365	2	110.7930	0.133	2	110.7930	0.133	2	110.7930	0.133	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:4:2:	3:4:2:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6a]-3:C[6]-4:N[5]-2:	C[6](C[5]C[5,6a]N[5])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5])	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[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[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5]){1|O<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:1:	4:4:4:4:	3:4:3:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[5,6]CC)(C[6]C[6]CC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	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[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:2:	4:4:1:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH){1|Pd<4>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[6]C[6]2O)(C[5]N[5]Pd)(N[5]N[5]C){3|C<4>,4|H<1>}	110.4484	0.676	8	110.4484	0.456	8	110.4484	0.456	8	110.4484	0.456	8	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:2:	4:4:3:1:	4:4:3:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H)	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[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:2:	4:4:4:1:	4:4:3:	C[5]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H)	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[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[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:4:	4:4:2:1:	4:4:2:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5]-2:	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[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5])	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[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5]){1|O<2>,3|C<4>,6|H<1>}	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	110.7780	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	3:4:4:4:	4:4:4:1:	4:4:2:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:N[5]-2:	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[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5])	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[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5]){1|O<2>,3|C<4>,6|H<1>}	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:2:3:1:	4:2:1:1:	4:4:3:	C[6]-4:S[6]-2:C[5]-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H)	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(C[5]C[5]2)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	112.2300	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:1:	3:4:1:1:	4:2:2:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N[5]-2:O[5]-2:	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5])	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6]C[6]N[6]H)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	111.0610	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:1:	4:2:1:1:	4:4:3:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]O[6]HH)(C[5]C[5]2)(C[6]C[6]C)(H){1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,4|H<1>}	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]O)(C[6]C[6]2H){2|H<1>,3|C<4>,4|C<3>}	114.0230	0.276	3	114.0230	0.076	3	114.0230	0.076	3	114.0230	0.076	3	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,3|C<4>,4|H<1>}	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:3:3:2:	4:3:3:2:	4:3:2:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[6]-4:C[5]-3:C[6]-3:C-2:	C[6]-4:C[5]-3:N[5]-2:	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN)	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5])	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6]C)(C[5]C[5]N[5])(C[6]C[6]O)(CN){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[6]C[6]2C)(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	111.2520	0.325	2	111.2520	0.106	2	111.2520	0.106	2	111.2520	0.106	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:3:4:1:	3:4:4:2:	4:3:2:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:C[5]-3:O[5]-2:	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5])	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[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[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:3:4:1:	4:3:4:1:	4:3:2:	C[6]-4:C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5]-3:O[5]-2:	C[6](C[6]C[6,6a]CO)(C[5]C[5]O[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)(H)	C[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5])	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[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[5](C[6]C[6]2H)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	109.3260	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	3:4:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:N[5]-2:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]N[5])(H){2|H<1>,4|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	3:4:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5]-4:N[5]-2:C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.8543	1.323	3	110.8543	1.750	3	110.8543	1.750	3	110.8543	1.750	3	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	110.8825	0.364	2	110.8825	0.133	2	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	112.0100	0.569	2	112.0100	0.323	2	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,1|O<2>,6|H<1>,7|C<4>}	112.2135	1.399	2	112.1881	0.575	10	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|C<3>,7|C<4>,7|H<1>}	112.0855	1.290	2	112.1881	0.575	10	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){1|Cl<1>,1|C<3>,6|H<1>,7|C<4>}	111.6310	0.461	2	112.1881	0.575	10	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6])2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])2(C[6]C[6]2H){7|H<1>,8|C<4>}	112.5053	0.312	4	112.1881	0.575	10	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	112.0805	0.770	2	111.8558	0.466	6	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	111.5435	1.057	2	111.8558	0.466	6	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	111.9435	0.556	2	111.8558	0.466	6	111.9400	0.572	20	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:N[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	110.3330	0.738	2	110.3330	0.545	2	110.9005	0.954	4	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5]-3:N[5]-3:C[6]-4:	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H)	C[6](C[6]C[5]C[6]H)2(H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(C[5]N[5]2)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6]H)2(H)2{1|C<4>,4|H<1>,4|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	111.4680	1.014	2	111.4680	1.028	2	110.9005	0.954	4	111.7668	0.753	24	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	3:4:3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C){6|C<4>,6|H<1>}	112.2512	1.019	4	112.2512	1.039	4	112.2512	1.039	4	112.2512	1.039	4	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	111.8230	7.003	2	111.8230	49.045	2	111.7079	17.300	10	111.7079	17.300	10	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	111.3440	5.320	2	111.6307	14.760	6	111.7079	17.300	10	111.7079	17.300	10	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6]C[6]2H){6|H<1>,8|C<4>}	111.7740	3.884	4	111.6307	14.760	6	111.7079	17.300	10	111.7079	17.300	10	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:3:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6]C[6]2H){1|C<3>,6|H<1>,7|C<4>}	111.8245	5.724	2	111.8245	32.765	2	111.7079	17.300	10	111.7079	17.300	10	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|B<4>,2|C<4>,5|H<1>}	114.0050	0.000	1	114.0050	0.000	1	114.0050	0.000	1	111.2820	6.296	4	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(C[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	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[5](C[5]N[5]HH)(C[6]C[6]2H)(C[5]C[5]H){1|B<4>,2|C<4>,5|H<1>}	107.9440	0.000	1	107.9440	0.000	1	110.3743	4.500	3	111.2820	6.296	4	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	111.3240	0.000	1	111.3240	0.000	1	110.3743	4.500	3	111.2820	6.296	4	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(C[5]C[5]2)(H){1|Br<1>,1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	111.8550	0.000	1	111.8550	0.000	1	110.3743	4.500	3	111.2820	6.296	4	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:1:	4:4:3:1:	4:2:4:	C[6]-4:C[6]-4:C[5]-3:H-1:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[5]-4:N[5]-2:C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C[6a]H)(C[5]C[5]N[5])(H){1|H<1>,3|C<4>,8|C<3>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	111.8317	2.176	3	111.8317	4.734	3	111.8317	4.734	3	111.8317	4.734	3	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:2:	4:4:4:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[3,6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)	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[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[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H){1|O<2>,4|H<1>,5|C<4>}	114.9990	0.000	1	114.9990	0.000	1	114.9990	0.000	1	112.1450	16.291	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:2:	4:4:4:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(C[5]C[5]2)(OSi)	C[6](C[6]C[5]C[6]O)(C[6]C[3,6]HH)(CH3)(H)	C[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H)	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[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[5](C[5]C[5]CO)(C[6]C[6]2O)(C[5]C[5]H){1|O<2>,4|H<1>,5|C<4>}	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	112.1450	16.291	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:4:	4:4:2:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	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[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	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[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	106.9045	0.124	2	106.9045	0.015	2	106.9045	0.015	2	106.9045	0.015	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	4:4:3:4:	4:4:4:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[5]-3:	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[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	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[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	111.0785	1.156	2	111.0785	1.337	2	111.0785	1.337	2	111.0785	1.337	2	111.2885	3.459	134	111.3074	4.097	279
466	466	818	0:SP3_SP2_SP3	C[6]	C[6]	C[5]	6:4:4:3:	4:4:1:1:	4:3:3:	C[5x3,5x5,20x6]-6:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2)	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]HH)2(C[5]C[5]2){11|H<1>,1|C<3>,1|C<6>,2|C<4>,4|B<6>}	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	C[5](C[6]C[5x3,5x5,20x6]C[6]2)(C[5]C[5]H)2{2|C<4>,5|B<6>,7|H<1>}	110.7645	0.578	4	110.7645	0.334	4	110.7645	0.334	4	110.7645	0.334	4	111.2885	3.459	134	111.3074	4.097	279
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,3x6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5,3x6]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,3x6]-3:C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,3x6]C[5,5,6]C[3x6])(C[3x6]C[5,6,6]C[6,6]H){2|C<3>,3|C<4>,6|H<1>}	108.1360	0.810	2	108.1360	0.657	2	108.1360	0.657	2	108.1360	0.657	2	108.1360	0.657	2	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:3:4:4:	4:4:1:1:	4:3:4:	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:C[5,6,6]-3:C[5]-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]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[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	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[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:3:4:4:	4:4:4:3:	4:3:4:	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:C[5,6,6]-3:C[5]-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)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]HH)(CH3)(COO)	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	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[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6,6]-3:C[6,6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(O[6,6]O[6,6])(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	105.7381	0.831	8	105.7381	0.690	8	105.7381	0.690	8	106.7076	4.736	10	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:3:1:	4:4:1:1:	3:4:3:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.5855	0.442	2	110.5855	0.195	2	110.5855	0.195	2	106.7076	4.736	10	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:3:4:	4:4:3:2:	4:4:2:	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[5,6,6]-4:C[3x6]-4:N[5]-2:	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[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a])	C[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[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	105.2950	0.109	2	105.2950	0.012	2	105.2950	0.012	2	105.2950	0.012	2	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,7|H<1>}	106.9075	0.083	2	107.9413	0.910	10	107.9413	0.910	10	107.9462	0.684	16	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|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]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	108.4347	1.026	4	107.9413	0.910	10	107.9413	0.910	10	107.9462	0.684	16	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|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]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H){6|C<4>,6|H<1>}	107.9648	0.798	4	107.9413	0.910	10	107.9413	0.910	10	107.9462	0.684	16	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	108.1552	0.596	4	107.9543	0.413	6	107.9543	0.413	6	107.9462	0.684	16	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|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]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	107.5525	0.718	2	107.9543	0.413	6	107.9543	0.413	6	107.9462	0.684	16	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:S[5]-2:	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5])	C[3x6](C[5,6,6]C[5,6,6]S[5])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(S[5]S[5]){3|C<4>,5|H<1>}	105.6385	0.073	2	105.6385	0.005	2	105.6385	0.005	2	105.6385	0.005	2	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|S<2>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]S[5])(C[3x6]C[6,6]2H)(C[5]C[6]S[5]){4|C<4>,6|H<1>}	107.3360	0.798	2	107.3360	0.636	2	108.0950	0.712	6	108.0950	0.712	6	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[3x6]-4:C[5]-3:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C)	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)2(H){2|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]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[3x6]C[6,6]2H)(C[5]C[5,6,6]C){4|C<4>,5|H<1>}	108.4745	0.632	4	108.4745	0.399	4	108.0950	0.712	6	108.0950	0.712	6	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)	C[3x6](C[5,6,6]C[5,6,6]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,6|H<1>}	106.9480	3.371	2	106.9480	11.367	2	106.9480	11.367	2	106.9480	11.367	2	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	4:4:2:	C[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:N[5]-2:	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a])	C[3x6](C[5,6,6]C[5,3x6]N[5])(C[6,6]C[3x6]HH)2(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,6|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[5]C[5,6a]){2|C<3>,2|C<4>,8|H<1>}	107.3582	0.511	4	107.3582	0.261	4	107.3582	0.261	4	107.3582	0.261	4	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:3:4:	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:C[5,6,6]-3:C[5]-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]HH)(CH3)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	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[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[3x6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:4:4:4:	4:3:4:	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:C[5,6,6]-3:C[5]-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)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	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[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	106.8270	0.000	1	107.3991	2.430	47	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[4x6]	C[6x6]	C[5,6,6]	3:4:4:1:	4:4:4:4:	4:4:2:	C[5,6,6]-3:C[6x6]-4:C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6]-4:C[4x6]-4:N[5]-2:	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5])	C[4x6](C[5,6,6]C[5,4x6]N[5])(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[6x6](C[4x6]C[5,6,6]C[6,6]H)(C[4x6]C[3x6]C[6,6]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO){1|C<3>,1|N<2>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	105.0287	0.071	3	105.0287	0.005	3	105.0287	0.005	3	105.0287	0.005	3	105.0287	0.005	3	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:1:	4:3:3:1:	4:4:3:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	107.0180	0.162	4	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	3:4:1:1:	4:3:3:4:	4:4:3:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)2(CC3)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	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[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[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.0180	0.162	4	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5,6,6]	4:3:1:1:	3:4:3:1:	4:4:3:	C[3x6]-4:C[5,6,6]-3:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.0315	0.149	2	107.0315	0.022	2	107.0315	0.022	2	107.0315	0.022	2	107.0180	0.162	4	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[3x6]	C[5,6]	4:3:3:4:	4:4:4:1:	4:4:3:	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:C[5,6]-4:C[5]-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)	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[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	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[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6,6]	4:3:4:1:	4:4:3:1:	4:4:3:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H)	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	108.1177	4.038	3	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:3:4:2:	4:4:3:	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:C[5,6]-4:C[5,6]-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)	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[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[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[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	107.4020	0.000	1	106.9830	0.351	2	106.9830	0.351	2	106.9830	0.351	2	108.1177	4.038	3	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6,6]	4:3:4:4:	4:3:4:2:	4:4:3:	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:C[5,6]-4:C[5,6]-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)	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[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[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[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	106.5640	0.000	1	106.9830	0.351	2	106.9830	0.351	2	106.9830	0.351	2	108.1177	4.038	3	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]N[5,6]H)(C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.8200	0.000	2	109.8200	0.000	2	109.8200	0.000	2	109.8200	0.000	2	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:3:4:1:	4:4:3:1:	4:3:4:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:2:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[6,6]-4:N[6]-2:H-1:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6](C[5,3x6]C[5,6a]C[4x6]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){2|C<4>,4|C<3>,5|H<1>}	106.6840	0.000	1	106.6840	0.000	1	106.6840	0.000	1	106.8563	0.026	3	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:2:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[3x6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a]){3|C<3>,3|C<4>,4|H<1>}	106.9425	0.083	2	106.9425	0.007	2	106.9425	0.007	2	106.8563	0.026	3	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:2:1:	4:4:2:1:	4:4:2:	C[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|H<1>,3|O<2>,4|C<4>}	C[6,6](C[6,6]C[5,6]O[6]H)(C[6]C[6]HO)(O[6]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,2|C<4>,5|H<1>}	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:3:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	105.3540	0.000	1	105.3540	0.000	1	105.3540	0.000	1	105.3540	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:3:1:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(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[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	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[5,6](C[5,6]C[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.3350	0.444	2	106.3350	0.197	2	106.3350	0.197	2	107.0407	1.592	3	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:3:1:	4:4:4:1:	4:4:3:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	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[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|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[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){4|C<4>,7|H<1>}	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	107.0407	1.592	3	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:1:	4:4:4:1:	4:4:2:	C[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,6|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|N<2>,3|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(N[5]S[5]){2|O<1>,4|C<4>,4|H<1>}	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:2:	4:4:4:4:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)2(CH3)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[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[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:2:4:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	106.0600	0.000	1	106.0600	0.000	1	106.0600	0.000	1	106.0600	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	104.7220	0.000	1	104.7220	0.000	1	104.7588	0.220	5	104.7588	0.220	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	104.7680	0.541	4	104.7680	0.293	4	104.7588	0.220	5	104.7588	0.220	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	106.5010	0.000	1	106.5010	0.000	1	105.7982	0.322	5	105.7982	0.322	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	105.9120	0.000	1	105.5400	0.277	2	105.7982	0.322	5	105.7982	0.322	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	105.1680	0.000	1	105.5400	0.277	2	105.7982	0.322	5	105.7982	0.322	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:3:4:	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:C[5,6]-3:C[5]-4:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	105.7050	0.605	2	105.7050	0.366	2	105.7982	0.322	5	105.7982	0.322	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-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)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[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[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	105.2748	1.359	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-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)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[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[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	105.2748	1.359	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[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[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	104.1560	0.000	1	104.1560	0.000	1	104.1560	0.000	1	105.2748	1.359	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	104.7260	1.037	2	104.7260	1.075	2	104.7260	1.075	2	105.2748	1.359	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	3:4:4:4:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){1|C<3>,3|C<4>,6|H<1>}	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:3:4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|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<3>,3|C<4>,6|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,4|C<4>,7|H<1>}	110.6690	1.133	2	110.6690	1.283	2	110.6690	1.283	2	110.6690	1.283	2	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.5425	1.709	2	109.5425	2.921	2	109.5425	2.921	2	109.4802	5.842	4	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-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]HH)(H)	C[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[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){5|H<1>,7|C<4>}	C[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[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	109.4802	5.842	4	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:3:	N[5,6]-4:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	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[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<2>,7|C<4>,7|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[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<4>,7|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	109.4802	5.842	4	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,5|H<1>,6|C<4>}	C[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,8|H<1>}	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[5]-3:	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[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]O){4|C<4>,6|H<1>}	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:3:4:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C[5]-4:	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[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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[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[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,4|C<4>,4|H<1>}	109.0865	0.930	2	109.0865	0.865	2	109.0865	0.865	2	109.0865	0.865	2	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[5]-3:	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[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	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[6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:2:	3:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:3:1:	4:3:3:	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:C[5,6]-3:C[5]-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)	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[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H)	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[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-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)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	105.0840	0.000	1	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-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)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	108.6948	0.313	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-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)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	108.4450	0.000	1	108.5152	0.203	4	108.5152	0.203	4	108.6948	0.313	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-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)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.6505	0.726	2	108.5152	0.203	4	108.5152	0.203	4	108.6948	0.313	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-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)	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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[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[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	108.3150	0.000	1	108.5152	0.203	4	108.5152	0.203	4	108.6948	0.313	5	107.5199	4.389	51	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:3:4:4:	4:4:1:1:	4:4:3:	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:C[5,6]-4:C[5,6]-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)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[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[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	104.0360	0.000	1	104.0360	0.000	1	104.0360	0.000	1	104.0360	0.000	1	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H)	C[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2(H){4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H){2|O<2>,4|C<4>,8|H<1>}	109.8105	1.200	2	109.8105	1.440	2	109.8105	1.440	2	109.8105	1.440	2	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6,6]C[5,6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	107.5775	0.298	2	107.5775	0.089	2	107.5775	0.089	2	107.9860	0.545	3	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	107.9860	0.545	3	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:1:	4:4:3:1:	3:4:4:	C[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-3:C[5,6]-4:C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[5,6]CH)(C[6]C[6]HH)(H){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[5,6]C[5])(C[5,6]C[6]S[5]H)(C[6,6]C[6]2H){1|C<3>,3|C<4>,8|H<1>}	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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[5,5,6]-4:C[5,6]-3:C[6,6]-4:	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[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	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[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	108.1690	0.000	1	108.1690	0.000	1	107.5540	0.756	2	107.5540	0.756	2	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	3:4:4:4:	4:4:1:1:	4:3:4:	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[5,5,6]-4:C[5,6]-3:C[6,6]-4:	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[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	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[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	106.9390	0.000	1	106.9390	0.000	1	107.5540	0.756	2	107.5540	0.756	2	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,3|C<4>,9|H<1>}	106.8790	0.175	2	106.8790	0.031	2	108.2908	2.853	4	108.2908	2.853	4	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]S[5]H)(C[5,6]C[5]C[6]){2|C<3>,2|C<4>,8|H<1>}	110.2300	0.000	1	110.2300	0.000	1	108.2908	2.853	4	108.2908	2.853	4	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])	C[6,6](C[5,6]C[5]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	109.1750	0.000	1	109.1750	0.000	1	108.2908	2.853	4	108.2908	2.853	4	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	4:3:4:1:	4:4:2:1:	4:4:3:	C[6,6]-4:C[5,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(H){1|C<2>,1|O<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:1:1:	4:4:3:	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:C[5,6]-4:C[5,6]-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)	C[6](C[6,6]C[5,6,6]2C)(C[6]C[6]HH)(H)2	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[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[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|O<2>,4|C<4>,7|H<1>}	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:2:1:	4:4:3:	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:C[5,6]-4:C[5,6]-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)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[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[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	108.0630	0.000	1	108.7035	0.820	2	108.7035	0.820	2	108.7035	0.820	2	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6,6]	4:3:4:4:	4:4:2:1:	4:4:3:	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:C[5,6]-4:C[5,6]-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)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[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[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	109.3440	0.000	1	108.7035	0.820	2	108.7035	0.820	2	108.7035	0.820	2	108.0406	2.879	17	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6,6]	C[6]	C[5,6]	3:4:4:4:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH)	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)2(C[6]N[6]CH){2|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]3)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	103.4500	0.000	1	103.4500	0.000	1	103.4500	0.000	1	103.4500	0.000	1	103.4500	0.000	1	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[3x6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:2:	C[3x6]-4:C[5,6]-3:C-4:C-4:	C[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	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[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a])	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[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a]){2|C<3>,2|C<4>,3|H<1>}	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6,6]	3:4:2:1:	4:4:4:4:	4:3:4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	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[6,6](C[6]C[5,6,6]HO)(C[6,6]C[6]2O)(C[6]C[6]CH)(CH3)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)	C[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[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[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(C[6]C[6,6]HO){1|C<3>,3|H<1>,5|C<4>}	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:1:1:	4:4:4:1:	3:4:4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[5,6]C[3,5]C[5,6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH){5|C<4>,5|H<1>}	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:3:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2	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[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	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[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[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	110.7672	0.746	4	110.7672	0.556	4	110.7672	0.556	4	110.7672	0.556	4	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:3:1:	4:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|O<2>,3|C<3>,4|C<4>}	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|O<2>,5|C<4>}	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[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>}	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	110.1148	0.215	5	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2	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[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2{1|C<3>,1|N<3>,3|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]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	110.0025	0.451	4	110.0025	0.203	4	110.0025	0.203	4	110.1148	0.215	5	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	109.8240	0.000	1	109.8240	0.000	1	108.1353	2.143	3	108.1353	2.143	3	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	107.2240	0.000	1	107.2910	0.009	2	108.1353	2.143	3	108.1353	2.143	3	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CO)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{3|C<3>,3|O<2>,4|C<4>}	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,3|H<1>}	107.3580	0.000	1	107.2910	0.009	2	108.1353	2.143	3	108.1353	2.143	3	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:4:4:	3:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	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[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[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:1:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C)	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[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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	111.1005	0.716	2	111.1005	0.513	2	111.1005	0.513	2	111.1005	0.513	2	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:2:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	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[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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	110.7160	0.000	1	110.7160	0.000	1	110.1630	0.155	4	110.1630	0.155	4	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:2:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	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[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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	110.1060	0.000	1	110.1060	0.000	1	110.1630	0.155	4	110.1630	0.155	4	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:2:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C)	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[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[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	110.0410	0.000	1	110.0410	0.000	1	110.1630	0.155	4	110.1630	0.155	4	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:2:1:	4:4:4:4:	4:4:3:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HO)(C[6]C[6]CH)(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C)	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[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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]HO)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<4>}	109.7890	0.000	1	109.7890	0.000	1	110.1630	0.155	4	110.1630	0.155	4	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:1:	4:3:2:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:S[6]-2:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|H<1>,7|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){1|C<4>,9|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	107.6590	0.000	1	107.4427	0.177	3	107.4427	0.177	3	107.4427	0.177	3	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:1:	4:4:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6,6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)2(C[6,6]N[6]O[6]H)(H){2|C<4>,8|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	107.3345	0.532	2	107.4427	0.177	3	107.4427	0.177	3	107.4427	0.177	3	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:3:2:	4:4:4:1:	4:4:2:	C[6,6]-4:C[5,6]-3:C-3:O-2:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]CO)(N[5]C[5,6a])	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[5,6,6]HH)(C[6]C[5,6]CO)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6,6]CO)(N[5]C[5,6a]){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:4:2:	4:4:4:1:	4:4:3:	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[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H)	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H){1|O<2>,2|C<4>,4|H<1>}	107.9270	1.359	2	107.9270	1.847	2	107.9270	1.847	2	107.9270	1.847	2	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6,6]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H)	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[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	107.0925	0.008	2	107.0925	0.000	2	107.0925	0.000	2	107.0925	0.000	2	109.2171	2.782	32	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	112.0280	0.000	1	112.0280	0.000	1	112.1230	0.018	2	111.0727	3.319	3	111.0727	3.319	3	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]H)(C[6]C[6]HH){1|Si<4>,1|O<1>,2|C<4>,6|H<1>}	112.2180	0.000	1	112.2180	0.000	1	112.1230	0.018	2	111.0727	3.319	3	111.0727	3.319	3	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	111.0727	3.319	3	111.0727	3.319	3	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	105.6000	0.000	1	105.6000	0.000	1	105.6000	0.000	1	105.6000	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	106.0925	0.855	2	106.0925	0.731	2	106.0925	0.731	2	106.0925	0.731	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:3:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H){1|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	106.6020	0.000	1	106.6020	0.000	1	106.6020	0.000	1	106.6020	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	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[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H){4|C<3>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	106.0880	0.516	2	106.0880	0.266	2	106.0880	0.266	2	106.0880	0.266	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:3:4:1:	4:3:4:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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[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[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	106.2380	0.000	1	106.2380	0.000	1	106.2380	0.000	1	106.2380	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:3:4:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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[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[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5,6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2{1|C<4>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	106.7090	0.000	1	106.7090	0.000	1	106.1470	0.632	2	106.1470	0.632	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	105.5850	0.000	1	105.5850	0.000	1	106.1470	0.632	2	106.1470	0.632	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:4:3:1:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:C[5,6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	111.7405	0.381	2	111.7405	0.145	2	111.7405	0.145	2	111.7405	0.145	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:4:3:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	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|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CO)(CCO)(H){2|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:4:3:1:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(CH3)(H){1|C<4>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	105.7370	0.313	2	105.7370	0.098	2	105.7370	0.098	2	105.7370	0.098	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:3:4:2:	4:3:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2{4|C<3>}	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C){2|H<1>,5|C<3>}	106.9263	0.550	3	106.9263	0.302	3	106.9263	0.302	3	106.9263	0.302	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	109.9420	0.000	1	109.9420	0.000	1	109.8600	0.610	3	109.5212	0.527	5	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	109.0410	0.000	1	109.0410	0.000	1	109.8600	0.610	3	109.5212	0.527	5	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	110.5970	0.000	1	110.5970	0.000	1	109.8600	0.610	3	109.5212	0.527	5	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.8970	0.000	1	109.0130	0.027	2	109.0130	0.027	2	109.5212	0.527	5	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|N<2>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	109.1290	0.000	1	109.0130	0.027	2	109.0130	0.027	2	109.5212	0.527	5	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5]){2|H<1>,3|C<3>}	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	110.1775	0.714	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.1775	0.714	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	110.2790	0.638	2	110.2790	0.407	2	110.8103	1.050	3	110.8103	1.050	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	111.8730	0.000	1	111.8730	0.000	1	110.8103	1.050	3	110.8103	1.050	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH){3|H<1>,4|C<3>}	109.7350	0.041	2	109.7350	0.002	2	109.7350	0.002	2	109.7350	0.002	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	108.6405	1.818	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:3:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2{2|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	108.6405	1.818	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:3:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H)	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:3:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	107.0540	0.000	1	107.0540	0.000	1	107.0540	0.000	1	107.0540	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	3:4:4:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	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[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:2:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:2:4:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CHHO)(H){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	111.0480	0.000	1	111.0480	0.000	1	111.0480	0.000	1	109.6940	3.667	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	109.6940	3.667	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:1:1:	4:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:2:4:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	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[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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.0875	0.053	2	108.0875	0.003	2	108.0875	0.003	2	108.0875	0.003	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	110.0302	2.457	6	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	110.0302	2.457	6	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H)	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H){1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]O[6]O)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.5003	1.333	3	109.5003	1.776	3	109.5003	1.776	3	110.0302	2.457	6	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	110.0302	2.457	6	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:4:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:4:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2{2|Se<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H){1|C<4>,1|H<1>,2|C<3>}	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:3:4:2:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	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[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:D-1:H-1:	C[6]-4:C[6]-4:D-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H)	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H)	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]DH)(D)(H){1|Ge<4>,1|D<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]DH)(C[6]C[6]DH)(D)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH){1|D<1>,2|C<3>,2|H<1>,3|C<4>}	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	111.2650	0.000	1	111.2650	0.000	1	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.3327	1.009	3	109.3327	1.019	3	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	113.1790	0.559	8	113.0652	1.281	15	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	113.1115	1.658	2	113.0652	1.281	15	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	112.7722	2.042	4	113.0652	1.281	15	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	113.2340	0.000	1	113.0652	1.281	15	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<3>,3|C<3>,4|H<1>}	113.6121	1.520	12	113.4357	1.653	20	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	112.1120	0.000	1	113.4357	1.653	20	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.8910	0.000	1	113.4357	1.653	20	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	114.0560	0.547	2	113.4357	1.653	20	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){2|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.3135	0.352	4	113.4357	1.653	20	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	112.7760	0.797	4	112.3562	1.232	13	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	110.1770	0.000	1	112.3562	1.232	13	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	110.6660	0.000	1	112.3562	1.232	13	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	112.5235	0.433	2	112.3562	1.232	13	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	113.1775	1.350	2	112.3562	1.232	13	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	112.8250	0.000	1	112.3562	1.232	13	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	112.2285	0.951	2	112.3562	1.232	13	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]Se[5]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	112.3245	0.228	2	112.3245	0.052	2	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]O)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	110.4170	0.000	1	110.4170	0.000	1	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|S<2>,4|H<1>}	110.4150	0.000	1	110.4150	0.000	1	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.3960	0.000	1	110.3960	0.000	1	112.6397	2.366	57	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	108.9570	0.000	1	108.9570	0.000	1	108.7017	1.023	11	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	111.0310	0.000	1	111.0310	0.000	1	108.7017	1.023	11	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Co<5>,1|C<4>,3|C<3>,4|H<1>}	108.4075	0.623	2	108.4146	0.500	9	108.7017	1.023	11	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Fe<3>,1|C<4>,3|C<3>,4|H<1>}	108.4166	0.775	7	108.4146	0.500	9	108.7017	1.023	11	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Sn<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<3>,2|H<1>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	109.2290	0.000	1	109.2290	0.000	1	109.5585	2.955	6	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	110.9953	0.503	3	110.9953	0.253	3	109.5585	2.955	6	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	107.5680	0.206	2	107.5680	0.043	2	109.5585	2.955	6	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	109.2340	0.591	2	109.6510	0.471	6	109.6510	0.471	6	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|P<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	109.8595	0.703	4	109.6510	0.471	6	109.6510	0.471	6	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	108.9790	0.362	2	108.9790	0.131	2	108.9790	0.131	2	111.5579	4.483	85	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	N[5,6,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]N[5,6,6]O[5])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.8940	0.000	1	107.8940	0.000	1	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	109.7810	0.000	1	109.7810	0.000	1	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|C<4>,1|O<1>,2|S<2>,4|H<1>}	108.7900	0.000	1	108.7900	0.000	1	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	108.5385	0.107	2	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.8050	0.000	1	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	108.9035	0.619	2	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	109.5760	0.444	2	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	108.3060	0.000	1	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	107.4640	0.000	1	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.1330	0.000	1	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	108.5420	0.000	1	108.7533	0.548	11	108.7679	0.559	14	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:P[5]-2:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<2>,2|H<1>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	110.8903	0.873	4	110.9610	0.597	5	110.9610	0.597	5	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:P[5]-2:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<2>,2|H<1>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	111.2440	0.000	1	110.9610	0.597	5	110.9610	0.597	5	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	110.6780	0.475	12	110.6780	0.226	12	110.6780	0.226	12	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	109.3920	0.095	2	109.6476	0.258	5	109.9093	0.372	7	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	109.5290	0.000	1	109.6476	0.258	5	109.9093	0.372	7	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|I<1>,4|H<1>}	109.3800	0.000	1	109.6476	0.258	5	109.9093	0.372	7	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.5450	0.000	1	109.6476	0.258	5	109.9093	0.372	7	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:Se[5]-2:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5])	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(Se[5]N[5]){2|C<4>,3|H<1>}	110.5635	0.023	2	110.5635	0.001	2	109.9093	0.372	7	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,3|C<4>,4|H<1>}	110.5330	0.000	2	111.0022	0.595	5	111.0022	0.595	5	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|C<4>,1|O<1>,3|F<1>,4|H<1>}	112.3050	0.000	1	111.0022	0.595	5	111.0022	0.595	5	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.8200	0.421	2	111.0022	0.595	5	111.0022	0.595	5	109.9695	1.283	44	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[4,6]C[5])(C[6]C[6]HH)(C[5]O[5]C){1|O<1>,2|C<4>,3|H<1>}	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]O){4|C<4>,5|H<1>}	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,4|H<1>}	109.5710	0.000	1	109.5710	0.000	1	109.4067	0.644	3	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	108.5350	0.000	1	109.3245	1.247	2	109.4067	0.644	3	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	110.1140	0.000	1	109.3245	1.247	2	109.4067	0.644	3	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	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[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	109.5430	0.239	2	109.5430	0.057	2	109.7758	0.551	8	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	110.7450	0.877	2	110.1015	0.861	4	109.7758	0.551	8	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	109.4580	0.399	2	110.1015	0.861	4	109.7758	0.551	8	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>}	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[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	108.9510	0.000	1	108.9510	0.000	1	109.7758	0.551	8	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{5|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	109.7630	0.000	1	109.7630	0.000	1	109.7758	0.551	8	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5a,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H)	C[6](C[5,6]C[5,5a,6]C[5])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.4285	0.588	2	110.4285	0.345	2	110.4285	0.345	2	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Si<4>,1|C<4>,1|N<3>,4|H<1>}	112.9250	0.000	1	112.4383	1.439	3	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){3|C<4>,5|H<1>}	113.3180	0.000	1	112.4383	1.439	3	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	111.0720	0.000	1	112.4383	1.439	3	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){4|C<4>,4|H<1>}	112.5350	0.000	1	111.6310	1.634	2	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	110.7270	0.000	1	111.6310	1.634	2	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	102.2160	0.000	1	102.2160	0.000	1	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	109.3404	0.962	10	109.3404	0.925	10	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){2|C<4>,5|H<1>}	108.9785	0.390	2	108.9785	0.152	2	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	109.8020	0.000	1	109.8020	0.000	1	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|S<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H){1|C<3>,1|C<4>,2|H<1>}	111.1030	0.000	1	111.1030	0.000	1	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.8150	0.000	1	110.8150	0.000	1	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]Br){1|C<3>,1|C<4>,4|H<1>}	112.0480	0.011	2	112.0480	0.000	2	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	111.5180	0.000	1	111.9475	0.369	2	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|N<3>,4|H<1>}	112.3770	0.000	1	111.9475	0.369	2	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]C[5]I){1|C<3>,1|C<4>,4|H<1>}	111.9080	0.000	1	111.9080	0.000	1	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,1|W<6>,4|H<1>}	111.7130	0.000	1	111.7130	0.000	1	110.2773	4.844	27	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.2650	0.000	1	108.2650	0.000	1	110.1010	12.187	9	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.0600	0.564	2	110.0600	0.318	2	110.1010	12.187	9	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	115.9585	0.691	2	115.9585	0.477	2	110.1010	12.187	9	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	107.6517	0.487	4	107.6517	0.237	4	110.1010	12.187	9	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H){1|C<3>,1|C<4>,4|H<1>}	110.3325	1.537	2	110.3325	2.361	2	110.3325	2.361	2	110.0901	4.368	56	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	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[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	110.3480	0.000	1	110.3480	0.000	1	110.9816	1.191	5	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	110.5620	0.110	2	110.5620	0.012	2	110.9816	1.191	5	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<4>}	112.9250	0.000	1	112.9250	0.000	1	110.9816	1.191	5	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|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[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	110.5110	0.000	1	110.5110	0.000	1	110.9816	1.191	5	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	109.2890	0.000	1	109.2890	0.000	1	109.2890	0.000	1	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	110.5640	0.576	2	110.5640	0.331	2	109.9578	2.362	6	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]C[6]HH){1|O<1>,3|C<4>,5|H<1>}	108.9430	0.000	1	108.9430	0.000	1	109.9578	2.362	6	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]HO)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	111.5160	0.000	1	111.5160	0.000	1	109.9578	2.362	6	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	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[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	110.7750	0.000	1	110.7750	0.000	1	109.9578	2.362	6	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	107.3850	0.000	1	107.3850	0.000	1	109.9578	2.362	6	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	110.3883	2.481	14	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	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[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.1570	0.152	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	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[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	108.3170	0.000	1	108.3170	0.000	1	108.1533	0.228	3	108.1570	0.152	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	108.0715	0.644	2	108.0715	0.415	2	108.1533	0.228	3	108.1570	0.152	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[4,6]C[5])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	110.4830	1.420	2	110.4830	2.016	2	110.4830	2.016	2	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	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[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	111.3060	0.000	1	111.3060	0.000	1	111.2505	0.006	2	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	111.1950	0.000	1	111.1950	0.000	1	111.2505	0.006	2	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	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[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.7240	0.000	1	110.7240	0.000	1	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|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<2>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.1990	0.000	1	109.1990	0.000	1	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|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[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	108.4350	0.000	1	108.4350	0.000	1	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[3,5,5]O)(C[6]C[6]HH){4|C<4>,5|H<1>}	109.8900	0.000	1	109.8900	0.000	1	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	109.0825	0.050	2	109.0825	0.003	2	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	110.6350	0.000	1	110.6350	0.000	1	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]H)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	108.8360	0.000	1	108.8360	0.000	1	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	109.2630	0.000	1	109.2630	0.000	1	109.4608	0.625	9	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[5,5,6]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.9390	0.000	1	110.9390	0.000	1	109.5945	1.482	13	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[5,5]C[6a]O)(C[5,6]C[5,5]C[6])(C[6]C[6]HH){1|Fe<10>,2|C<3>,3|C<4>,4|H<1>}	110.2660	1.440	2	110.2660	2.073	2	109.5945	1.482	13	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.7000	0.000	1	109.7000	0.000	1	109.5945	1.482	13	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	110.8030	0.202	3	110.8030	0.041	3	109.5945	1.482	13	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.3370	0.000	1	108.5248	0.334	6	109.5945	1.482	13	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.0373	0.098	3	108.5248	0.334	6	109.5945	1.482	13	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.8500	0.255	2	108.5248	0.334	6	109.5945	1.482	13	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Se[5,5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<4>,1|C<3>,2|H<1>}	C[5,6](Se[5,5]C[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	109.6801	1.223	30	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>}	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[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5]){2|C<4>,5|H<1>}	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	108.3163	1.221	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	108.3163	1.221	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5])	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]O[5]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	108.3163	1.221	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.0590	0.000	1	110.0590	0.000	1	110.5095	0.406	2	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	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[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	110.9600	0.000	1	110.9600	0.000	1	110.5095	0.406	2	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	109.2610	0.000	1	109.2610	0.000	1	108.9625	0.178	2	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,4|C<4>,4|H<1>}	108.6640	0.000	1	108.6640	0.000	1	108.9625	0.178	2	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	111.5950	0.000	1	111.5950	0.000	1	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	109.5230	0.000	1	109.4625	0.007	2	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	109.4020	0.000	1	109.4625	0.007	2	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]Si){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	108.3040	0.583	2	108.3040	0.339	2	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	110.4145	0.818	2	110.4145	0.669	2	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	108.4840	0.000	1	108.4840	0.000	1	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,4|H<1>}	108.8160	0.000	1	108.8160	0.000	1	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]N)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	108.0530	0.000	1	108.0530	0.000	1	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]P[5]H)(C[6]C[6]HH)(C[5]C[5]H){1|B<3>,1|C<2>,1|C<3>,1|C<4>,4|H<1>}	110.6880	0.000	1	110.6880	0.000	1	109.4544	1.492	11	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,7|H<1>}	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	109.5636	1.228	16	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:2:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	109.3545	0.121	4	109.3545	0.015	4	109.3545	0.015	4	109.3545	0.015	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:2:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]2)(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	113.5380	0.000	1	112.7265	1.317	2	112.7265	1.317	2	112.7265	1.317	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	111.9150	0.000	1	112.7265	1.317	2	112.7265	1.317	2	112.7265	1.317	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:3:1:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	104.4850	0.410	2	104.4850	0.168	2	104.4850	0.168	2	104.4850	0.168	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:3:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:3:3:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:3:3:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)2{1|C<3>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	3:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	N[5,6]-3:O[5]-2:C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	109.9057	0.368	4	109.9057	0.135	4	109.9057	0.135	4	109.9057	0.135	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	110.0190	0.000	1	110.0190	0.000	1	110.3497	0.082	3	110.3497	0.082	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<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[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	110.5150	0.027	2	110.5150	0.001	2	110.3497	0.082	3	110.3497	0.082	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H)	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]O[6]CC)(CCHH)(H){1|C<3>,1|C<4>}	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	110.5205	0.694	2	110.5205	0.481	2	110.5205	0.481	2	110.5205	0.481	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(CCCH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	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[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[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){3|H<1>,4|C<4>}	108.4720	0.000	1	108.4720	0.000	1	107.2457	1.136	3	109.9958	4.230	10	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)2(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	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[6](C[6]C[5,6]HH)2(CH3)(H){1|H<1>,1|N<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){1|O<2>,2|H<1>,4|C<4>}	106.6325	0.128	2	106.6325	0.016	2	107.2457	1.136	3	109.9958	4.230	10	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){1|C<3>,3|H<1>,4|C<4>}	110.5243	0.742	3	110.5243	0.550	3	111.1744	0.564	7	109.9958	4.230	10	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5])	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[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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]N[5]){2|C<3>,2|H<1>,4|C<4>}	111.6620	0.148	4	111.6620	0.022	4	111.1744	0.564	7	109.9958	4.230	10	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|H<1>,2|O<1>,4|C<4>}	110.9960	0.000	1	110.9960	0.000	1	111.4140	0.349	2	111.4140	0.349	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:1:	4:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H)	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[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CCHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	111.8320	0.000	1	111.8320	0.000	1	111.4140	0.349	2	111.4140	0.349	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:2:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.3615	0.029	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:2:	3:4:3:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	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[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.3615	0.029	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:2:	4:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	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[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|O<2>,1|W<7>,3|C<4>,3|H<1>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:2:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6]C[6]HH){3|H<1>,6|C<4>}	112.1200	0.000	1	112.1200	0.000	1	112.0445	0.011	2	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH){1|H<1>,1|O<1>,6|C<4>}	111.9690	0.000	1	111.9690	0.000	1	112.0445	0.011	2	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	111.7550	0.028	2	111.5268	0.065	5	111.3627	0.214	6	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	111.3420	0.000	1	111.5268	0.065	5	111.3627	0.214	6	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	111.3910	0.293	2	111.5268	0.065	5	111.3627	0.214	6	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:N[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	110.5420	0.000	1	110.5420	0.000	1	111.3627	0.214	6	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	112.9410	0.000	1	112.9410	0.000	1	112.9410	0.000	1	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:3:4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	110.9713	0.301	3	110.9713	0.091	3	110.9713	0.091	3	111.5100	0.444	12	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	110.8367	0.328	4	110.5998	0.362	5	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	109.6520	0.000	1	110.5998	0.362	5	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	109.9938	0.458	4	109.9938	0.210	4	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.9910	0.000	1	110.9910	0.000	1	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	109.9690	0.000	1	110.5261	0.612	8	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	110.1025	0.298	2	110.5261	0.612	8	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.0920	0.000	1	110.5261	0.612	8	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.4857	0.597	4	110.5261	0.612	8	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:1:1:	4:4:4:4:	3:4:2:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])	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[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5]){1|N<2>,1|O<1>,4|C<4>}	109.7100	0.000	1	109.7100	0.000	1	110.4149	0.454	19	110.4149	0.454	19	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:3:4:1:	4:3:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	P[5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	C[5,6](P[5]C[6a]C[5]W)(C[5,6]C[5]C[6])(C[6]C[6]HO){2|C<4>,3|C<3>,4|H<1>}	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	109.7690	0.373	4	109.7690	0.139	4	109.7690	0.139	4	109.7690	0.139	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HO)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:Cl-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|O<2>,4|H<1>}	106.7580	0.000	1	106.7580	0.000	1	106.7580	0.000	1	109.2990	12.913	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){3|H<1>,4|C<4>}	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	109.2990	12.913	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	108.4680	0.000	1	108.4680	0.000	1	108.9750	0.514	2	108.9750	0.514	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5a,6]O[5,6]C[6])(C[5]C[5,6]H)(C[6]C[6]HO){2|C<3>,2|C<4>,5|H<1>}	109.4820	0.000	1	109.4820	0.000	1	108.9750	0.514	2	108.9750	0.514	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:2:1:	3:4:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:4:2:	3:4:3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	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[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	108.2200	0.947	3	108.2200	0.897	3	108.2200	0.897	3	108.2200	0.897	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:4:2:	3:4:4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO)	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[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.0280	0.066	4	110.0280	0.004	4	110.0280	0.004	4	110.0280	0.004	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:2:1:	4:4:4:4:	3:4:3:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	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[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	109.2117	3.288	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN){1|C<4>,8|H<1>}	110.2545	0.224	2	110.2545	0.050	2	110.2545	0.050	2	109.2117	3.288	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:1:	4:4:3:1:	3:4:4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:3:	4:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:N-3:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2{1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	111.9180	0.000	1	111.9180	0.000	1	111.9180	0.000	1	111.9180	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:3:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-3:C-3:	C[6]-4:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)2	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(COO)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(COO)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(COO)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<4>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.3505	0.204	2	109.3505	0.042	2	109.3505	0.042	2	109.2113	0.079	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:3:3:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)2	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)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<4>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	109.2113	0.079	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O){2|C<3>,4|H<1>}	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	108.8615	3.551	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	108.8615	3.551	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	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[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5])	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[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,4|H<1>}	108.8640	0.174	2	108.8640	0.030	2	108.8640	0.030	2	108.8640	0.030	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	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[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	106.4740	0.759	4	106.4740	0.576	4	106.4740	0.576	4	107.8864	2.023	11	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	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[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	110.3610	0.000	1	110.3610	0.000	1	108.6934	0.993	7	107.8864	2.023	11	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	107.9245	0.067	2	108.6453	0.694	4	108.6934	0.993	7	107.8864	2.023	11	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	109.3660	0.000	2	108.6453	0.694	4	108.6934	0.993	7	107.8864	2.023	11	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O)	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[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>}	107.9560	0.010	2	107.9560	0.000	2	108.6934	0.993	7	107.8864	2.023	11	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:	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[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	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[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	107.8821	0.647	7	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	107.1260	0.000	2	107.1260	0.000	2	107.9044	0.914	5	107.8821	0.647	7	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	107.3900	0.000	1	108.0980	1.003	2	107.9044	0.914	5	107.8821	0.647	7	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	108.8060	0.000	1	108.0980	1.003	2	107.9044	0.914	5	107.8821	0.647	7	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	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[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.0740	0.000	1	109.0740	0.000	1	107.9044	0.914	5	107.8821	0.647	7	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H)	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[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]2H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	107.8821	0.647	7	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	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[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	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[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	109.7995	0.373	2	109.7995	0.139	2	109.7995	0.139	2	109.7995	0.139	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	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[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	110.9765	1.699	4	110.9765	2.887	4	110.9765	2.887	4	110.9765	2.887	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:2:	4:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:1:	4:4:4:4:	4:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[5]-4:C[6]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO)	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[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	107.9450	0.000	1	107.9450	0.000	1	107.1313	0.550	3	107.1313	0.550	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	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[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	106.4940	0.000	1	106.7245	0.106	2	107.1313	0.550	3	107.1313	0.550	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:2:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	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[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.9550	0.000	1	106.7245	0.106	2	107.1313	0.550	3	107.1313	0.550	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:3:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:O[5]-2:	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[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5])	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[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	107.1050	0.000	1	107.1050	0.000	1	107.1050	0.000	1	107.1050	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	3:4:3:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5])	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	3:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC)	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[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:3:4:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	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[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	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[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<2>,3|C<4>,3|H<1>}	105.9570	0.000	1	106.4565	0.499	2	106.4565	0.499	2	106.4565	0.499	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	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[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	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[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	106.9560	0.000	1	106.4565	0.499	2	106.4565	0.499	2	106.4565	0.499	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	108.6870	0.000	1	108.6870	0.000	1	107.4865	2.882	2	106.7620	1.678	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O)	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[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	106.2860	0.000	1	106.2860	0.000	1	107.4865	2.882	2	106.7620	1.678	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	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[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	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[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	106.1970	0.000	1	106.0375	0.051	2	106.0375	0.051	2	106.7620	1.678	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	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[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	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[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<3>,2|H<1>,3|C<4>}	105.8780	0.000	1	106.0375	0.051	2	106.0375	0.051	2	106.7620	1.678	4	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	108.8490	0.000	1	107.8970	1.813	2	107.8970	1.813	2	107.8970	1.813	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	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[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.9450	0.000	1	107.8970	1.813	2	107.8970	1.813	2	107.8970	1.813	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	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[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	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[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	106.8050	0.154	5	106.8050	0.024	5	106.8050	0.024	5	107.1997	0.954	6	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	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[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC)	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[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC){1|C<4>,3|C<3>,4|H<1>}	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	107.1997	0.954	6	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.6785	0.077	2	108.0320	1.257	3	108.0320	1.257	3	108.0320	1.257	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	106.7390	0.000	1	108.0320	1.257	3	108.0320	1.257	3	108.0320	1.257	3	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	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[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC)	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[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC){2|C<3>,3|C<4>,4|H<1>}	105.1730	0.000	1	105.1730	0.000	1	105.1730	0.000	1	105.1730	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:4:4:	4:4:3:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:Cl-1:	C[5,6]-4:C[6]-4:C[5]-3:	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	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[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	107.1040	0.000	1	107.1040	0.000	1	107.1040	0.000	1	107.1040	0.000	1	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:3:1:	4:3:3:1:	3:4:3:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	P[5,6]-3:C[6]-4:C[5]-3:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	113.8930	0.126	2	113.8930	0.016	2	113.8930	0.016	2	113.8930	0.016	2	109.8725	4.160	465	109.3517	4.868	631
466	466	818	6:SP3_SP2_SP3	C[6]	C[6]	C[5,6]	4:3:3:1:	4:4:3:1:	3:4:4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	109.8725	4.160	465	109.3517	4.868	631