@MOLECULE DB04492 34 34 1 SMALL USER_CHARGES @ATOM 1 S1 -3.0095 -0.4477 1.1278 S 1 noname 0.0213 2 O1 -3.8343 -0.7572 2.4514 O.2 1 noname -0.1286 3 O2 -3.5422 -1.3663 -0.0556 O.2 1 noname -0.1286 4 O3 -1.3721 -0.7682 1.3964 O.3 1 noname -0.1012 5 O4 -3.2042 1.1783 0.7100 O.3 1 noname -0.1167 6 C1 -0.7157 0.4275 1.8118 C.3 1 noname 0.1397 7 C2 -0.8459 1.5284 0.7104 C.3 1 noname 0.1122 8 C3 0.7520 0.0301 2.1373 C.3 1 noname 0.1145 9 O5 -1.2219 0.9257 -0.5192 O.3 1 noname -0.3877 10 C4 0.3830 2.4513 0.4805 C.3 1 noname 0.1316 11 O6 1.6326 0.2424 1.0072 O.3 1 noname -0.3418 12 C5 0.8016 -1.4415 2.5532 C.3 1 noname 0.0723 13 N1 0.4208 3.4165 1.4590 N.2 1 noname -0.2250 14 C6 1.7067 1.6193 0.5175 C.3 1 noname 0.1802 15 O7 2.1419 -1.8044 2.8504 O.3 1 noname -0.3934 16 C7 0.3620 4.6497 1.1407 C.2 1 noname 0.0189 17 O8 2.6923 2.3304 1.2518 O.3 1 noname -0.3660 18 O9 0.2648 4.9999 -0.1284 O.3 1 noname -0.2660 19 C8 0.4013 5.6536 2.1583 C.3 1 noname -0.0002 20 H1 -3.2676 1.7083 1.5079 H 1 noname 0.2408 21 H2 -1.2249 0.7956 2.7025 H 1 noname 0.0680 22 H3 -1.6668 2.1802 1.0094 H 1 noname 0.0654 23 H4 1.1551 0.6764 2.9170 H 1 noname 0.0657 24 H5 -1.1943 -0.0296 -0.4289 H 1 noname 0.2106 25 H6 0.2854 3.0326 -0.4364 H 1 noname 0.0634 26 H7 0.2572 -1.5457 3.4917 H 1 noname 0.0591 27 H8 0.5213 -2.0458 1.6904 H 1 noname 0.0591 28 H9 2.0611 1.4763 -0.5033 H 1 noname 0.0944 29 H10 2.2611 -1.8367 3.8025 H 1 noname 0.2101 30 H11 2.5349 2.2168 2.1920 H 1 noname 0.2133 31 H12 0.2230 4.2121 -0.6754 H 1 noname 0.2195 32 H13 0.4391 5.1767 3.1378 H 1 noname 0.0317 33 H14 1.2867 6.2746 2.0221 H 1 noname 0.0317 34 H15 -0.4920 6.2746 2.0908 H 1 noname 0.0317 @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 10 13 1 13 10 14 1 14 11 14 1 15 12 15 1 16 13 16 2 17 14 17 1 18 16 18 1 19 16 19 1 20 5 20 1 21 6 21 1 22 7 22 1 23 8 23 1 24 9 24 1 25 10 25 1 26 12 26 1 27 12 27 1 28 14 28 1 29 15 29 1 30 17 30 1 31 18 31 1 32 19 32 1 33 19 33 1 34 19 34 1 @SUBSTRUCTURE 1 noname 1