@MOLECULE 71587152 24 23 1 SMALL USER_CHARGES @ATOM 1 S1 -2.3830 -0.4409 -0.1006 S.3 1 noname -0.1604 2 O1 0.0765 -0.1776 2.9211 O.2 1 noname -0.3048 3 C1 2.3091 -0.6328 0.5250 C.3 1 noname -0.0283 4 C2 1.0440 -0.1071 0.0332 C.2 1 noname -0.0386 5 C3 2.9428 -0.2524 1.8650 C.3 1 noname -0.0592 6 C4 2.3248 -2.1546 0.3671 C.3 1 noname -0.0592 7 C5 0.0003 0.4808 0.6950 C.2 1 noname 0.0227 8 C6 -1.1529 0.9200 -0.0771 C.3 1 noname 0.0211 9 C7 -0.1175 0.7112 2.0582 C.2 1 noname 0.0923 10 C8 -3.8991 0.0703 -0.9877 C.3 1 noname -0.0180 11 H1 3.0259 -0.3459 -0.2444 H 1 noname 0.0340 12 H2 0.9566 -0.2244 -0.9617 H 1 noname 0.0582 13 H3 3.8845 -0.7877 1.9866 H 1 noname 0.0236 14 H4 2.2655 -0.5198 2.6762 H 1 noname 0.0236 15 H5 3.1297 0.8212 1.8868 H 1 noname 0.0236 16 H6 3.2721 -2.5483 0.7354 H 1 noname 0.0236 17 H7 1.5043 -2.5877 0.9392 H 1 noname 0.0236 18 H8 2.2092 -2.4118 -0.6858 H 1 noname 0.0236 19 H9 -1.5924 1.7990 0.3944 H 1 noname 0.0431 20 H10 -0.8924 1.1105 -1.1182 H 1 noname 0.0431 21 H11 -0.4178 1.6385 2.4017 H 1 noname 0.1094 22 H12 -4.6142 -0.7524 -0.9890 H 1 noname 0.0344 23 H13 -4.3391 0.9333 -0.4879 H 1 noname 0.0344 24 H14 -3.6475 0.3346 -2.0148 H 1 noname 0.0344 @BOND 1 1 8 1 2 1 10 1 3 2 9 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 11 1 8 4 7 2 9 4 12 1 10 5 13 1 11 5 14 1 12 5 15 1 13 6 16 1 14 6 17 1 15 6 18 1 16 7 8 1 17 7 9 1 18 8 19 1 19 8 20 1 20 9 21 1 21 10 22 1 22 10 23 1 23 10 24 1 @SUBSTRUCTURE 1 noname 1