@MOLECULE 71306939 29 28 1 SMALL USER_CHARGES @ATOM 1 S1 -0.4725 -3.5786 -0.7643 S 1 noname -0.0657 2 O1 -1.5776 0.5410 -1.9831 O.3 1 noname -0.3881 3 O2 -0.7993 2.7445 -0.4131 O.3 1 noname -0.3874 4 O3 -0.0402 2.2463 2.2519 O.3 1 noname -0.3878 5 O4 2.5756 1.4028 1.6419 O.3 1 noname -0.3934 6 O5 0.1639 -1.9106 1.6273 O.2 1 noname -0.2982 7 O6 -2.0431 -3.8964 -0.2276 O.3 1 noname -0.1421 8 O7 -0.0689 -4.6380 -1.8792 O.2 1 noname -0.1630 9 O8 0.5375 -3.6858 0.4590 O.2 1 noname -0.1630 10 N1 -0.4026 -1.9823 -1.4326 N.3 1 noname 0.0396 11 C1 -0.5929 0.4090 -0.9685 C.3 1 noname 0.1060 12 C2 -0.8566 1.4357 0.1348 C.3 1 noname 0.1101 13 C3 -0.6546 -1.0012 -0.3783 C.3 1 noname 0.1104 14 C4 0.2045 1.2935 1.2279 C.3 1 noname 0.1056 15 C5 1.5909 1.5348 0.6274 C.3 1 noname 0.0718 16 C6 0.3579 -1.1369 0.6648 C.2 1 noname 0.1376 17 H1 0.3948 0.5809 -1.3963 H 1 noname 0.0650 18 H2 -1.8443 1.2637 0.5626 H 1 noname 0.0656 19 H3 -1.6423 -1.1731 0.0495 H 1 noname 0.0586 20 H4 0.1605 0.2888 1.6484 H 1 noname 0.0652 21 H5 -1.1114 -1.8873 -2.1627 H 1 noname 0.1471 22 H6 1.6348 2.5395 0.2069 H 1 noname 0.0591 23 H7 1.7787 0.8034 -0.1586 H 1 noname 0.0591 24 H8 1.2235 -0.6004 0.6082 H 1 noname 0.1060 25 H9 -1.5381 1.4442 -2.3612 H 1 noname 0.2106 26 H10 -0.9682 3.4021 0.2936 H 1 noname 0.2106 27 H11 -0.9283 2.0918 2.6365 H 1 noname 0.2106 28 H12 3.4636 1.5574 1.2573 H 1 noname 0.2101 29 H13 -2.6271 -4.0511 -0.9993 H 1 noname 0.2398 @BOND 1 1 7 1 2 1 8 2 3 1 9 2 4 1 10 1 5 11 2 1 6 2 25 1 7 12 3 1 8 3 26 1 9 14 4 1 10 4 27 1 11 5 15 1 12 5 28 1 13 6 16 2 14 7 29 1 15 13 10 1 16 10 21 1 17 11 12 1 18 11 13 1 19 11 17 1 20 12 14 1 21 12 18 1 22 13 16 1 23 13 19 1 24 14 15 1 25 14 20 1 26 15 22 1 27 15 23 1 28 16 24 1 @SUBSTRUCTURE 1 noname 1