@MOLECULE DB02879 32 32 1 SMALL USER_CHARGES @ATOM 1 S1 -0.0570 2.8077 -3.9530 S 1 noname 0.0219 2 O1 0.1438 4.2462 -3.3060 O.2 1 noname -0.1285 3 O2 0.5789 2.7886 -5.4102 O.2 1 noname -0.1285 4 O3 0.7047 1.6459 -2.9906 O.3 1 noname -0.0994 5 O4 -1.7079 2.4610 -4.0542 O.3 1 noname -0.1166 6 C1 0.0231 1.5392 -1.7482 C.3 1 noname 0.1642 7 C2 -1.4605 1.1176 -1.9534 C.3 1 noname 0.1861 8 C3 0.8320 0.5867 -0.8403 C.3 1 noname 0.1446 9 O5 -1.9516 0.1791 -0.9528 O.3 1 noname -0.3414 10 O6 -1.6181 0.5549 -3.2477 O.3 1 noname -0.3656 11 O7 0.7893 1.0587 0.4982 O.3 1 noname -0.1010 12 C4 0.4116 -0.8961 -0.8760 C.3 1 noname 0.1135 13 C5 -1.1384 -1.0227 -0.7850 C.3 1 noname 0.1124 14 S2 1.4581 2.6090 0.5705 S 1 noname 0.0213 15 O8 0.8647 -1.4876 -2.0849 O.3 1 noname -0.3873 16 C6 -1.5174 -1.7161 0.5251 C.3 1 noname 0.0722 17 O9 2.7935 2.5705 1.4326 O.2 1 noname -0.1286 18 O10 0.4186 3.6036 1.2475 O.2 1 noname -0.1286 19 O11 1.8124 3.1432 -0.9933 O.3 1 noname -0.1167 20 O12 -2.8909 -2.0750 0.4906 O.3 1 noname -0.3934 21 H1 -2.0736 2.3842 -3.1699 H 1 noname 0.2408 22 H2 0.0178 2.5420 -1.3211 H 1 noname 0.0707 23 H3 -2.1261 1.9779 -1.8831 H 1 noname 0.0950 24 H4 1.8720 0.6343 -1.1633 H 1 noname 0.0682 25 H5 -1.6102 -0.4029 -3.1833 H 1 noname 0.2134 26 H6 0.9073 -1.4563 -0.0832 H 1 noname 0.0657 27 H7 -1.4433 -1.5637 -1.6808 H 1 noname 0.0657 28 H8 0.8344 -2.4437 -2.0043 H 1 noname 0.2106 29 H9 -0.9719 -2.6583 0.5786 H 1 noname 0.0591 30 H10 -1.4273 -0.9877 1.3310 H 1 noname 0.0591 31 H11 1.9426 2.3856 -1.5684 H 1 noname 0.2408 32 H12 -3.2217 -2.1614 1.3877 H 1 noname 0.2101 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 6 4 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 8 12 1 12 9 13 1 13 11 14 1 14 12 15 1 15 12 13 1 16 13 16 1 17 14 17 2 18 14 18 2 19 14 19 1 20 16 20 1 21 5 21 1 22 6 22 1 23 7 23 1 24 8 24 1 25 10 25 1 26 12 26 1 27 13 27 1 28 15 28 1 29 16 29 1 30 16 30 1 31 19 31 1 32 20 32 1 @SUBSTRUCTURE 1 noname 1