@MOLECULE leukotriene a4 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9493 -2.5387 -0.0014 O.3 1 UNL1111111111 -0.3481 2 O -1.3095 3.4992 -0.4053 O.3 1 UNL1111111111 -0.5751 3 O -1.6844 3.0475 1.7434 O.2 1 UNL1111111111 -0.5068 4 C -3.5495 -1.1730 -0.1251 C.3 1 UNL1111111111 0.0101 5 C -2.7755 -2.1411 0.7167 C.3 1 UNL1111111111 -0.0056 6 C -4.4186 -0.1302 0.5253 C.3 1 UNL1111111111 -0.3025 7 C -3.5519 0.9971 1.0992 C.3 1 UNL1111111111 -0.2441 8 C -1.4767 -2.6112 0.2086 C.2 1 UNL1111111111 -0.1903 9 C -2.7742 1.7264 0.0004 C.3 1 UNL1111111111 -0.3508 10 C -0.3363 -2.1844 0.7702 C.2 1 UNL1111111111 -0.1401 11 C -1.9045 2.7866 0.5911 C.2 1 UNL1111111111 0.6487 12 C 0.9789 -2.5032 0.2416 C.2 1 UNL1111111111 -0.1748 13 C 2.2476 0.9356 -1.3575 C.3 1 UNL1111111111 -0.2662 14 C 0.7418 0.6767 -1.4736 C.3 1 UNL1111111111 -0.2805 15 C 2.5878 1.6433 -0.0350 C.3 1 UNL1111111111 -0.2777 16 C 0.4254 -0.0258 -2.8004 C.3 1 UNL1111111111 -0.2445 17 C 2.0919 -1.9630 0.7712 C.2 1 UNL1111111111 -0.1194 18 C 4.0694 1.8204 0.0503 C.2 1 UNL1111111111 -0.1441 19 C -1.0545 -0.3987 -2.8870 C.3 1 UNL1111111111 -0.4425 20 C 3.4167 -2.1798 0.2167 C.2 1 UNL1111111111 -0.2082 21 C 4.9128 0.9858 0.6666 C.2 1 UNL1111111111 -0.1718 22 C 4.5100 -0.2466 1.4168 C.3 1 UNL1111111111 -0.2875 23 C 4.4875 -1.4186 0.4878 C.2 1 UNL1111111111 -0.0994 24 H -3.1906 -0.9212 -1.1299 H 1 UNL1111111111 0.1529 25 H -2.9093 -2.1572 1.8045 H 1 UNL1111111111 0.1617 26 H -5.1519 0.2698 -0.2029 H 1 UNL1111111111 0.1537 27 H -5.0341 -0.5839 1.3302 H 1 UNL1111111111 0.1618 28 H -2.8473 0.5914 1.8550 H 1 UNL1111111111 0.1579 29 H -4.1874 1.7157 1.6550 H 1 UNL1111111111 0.1521 30 H -1.5108 -3.2790 -0.6500 H 1 UNL1111111111 0.1674 31 H -2.1353 1.0166 -0.5769 H 1 UNL1111111111 0.1898 32 H -3.4633 2.1681 -0.7515 H 1 UNL1111111111 0.1823 33 H -0.3539 -1.5351 1.6505 H 1 UNL1111111111 0.1516 34 H 1.0172 -3.1689 -0.6200 H 1 UNL1111111111 0.1547 35 H 2.6007 1.5405 -2.2121 H 1 UNL1111111111 0.1361 36 H 2.7996 -0.0238 -1.4116 H 1 UNL1111111111 0.1471 37 H 0.1818 1.6283 -1.4025 H 1 UNL1111111111 0.1427 38 H 0.4030 0.0503 -0.6256 H 1 UNL1111111111 0.1406 39 H 2.1938 1.0556 0.8176 H 1 UNL1111111111 0.1452 40 H 2.0725 2.6219 0.0182 H 1 UNL1111111111 0.1406 41 H 1.0476 -0.9357 -2.9017 H 1 UNL1111111111 0.1342 42 H 0.7027 0.6277 -3.6485 H 1 UNL1111111111 0.1330 43 H 2.0333 -1.3096 1.6453 H 1 UNL1111111111 0.1481 44 H -0.7074 4.2116 -0.0831 H 1 UNL1111111111 0.3561 45 H 4.4443 2.7015 -0.4723 H 1 UNL1111111111 0.1410 46 H -1.3321 -1.0913 -2.0828 H 1 UNL1111111111 0.1428 47 H -1.6942 0.4870 -2.8181 H 1 UNL1111111111 0.1381 48 H -1.2827 -0.8938 -3.8376 H 1 UNL1111111111 0.1419 49 H 3.5050 -3.0170 -0.4808 H 1 UNL1111111111 0.1536 50 H 5.9869 1.1683 0.6513 H 1 UNL1111111111 0.1414 51 H 3.5340 -0.0943 1.9249 H 1 UNL1111111111 0.1551 52 H 5.2276 -0.4459 2.2448 H 1 UNL1111111111 0.1537 53 H 5.4486 -1.6234 0.0117 H 1 UNL1111111111 0.1440 @BOND 1 1 4 1 2 1 5 1 3 2 11 1 4 2 44 1 5 3 11 2 6 4 5 1 7 4 6 1 8 4 24 1 9 5 8 1 10 5 25 1 11 6 7 1 12 6 26 1 13 6 27 1 14 7 9 1 15 7 28 1 16 7 29 1 17 8 10 2 18 8 30 1 19 9 11 1 20 9 31 1 21 9 32 1 22 10 12 1 23 10 33 1 24 12 17 2 25 12 34 1 26 13 14 1 27 13 15 1 28 13 35 1 29 13 36 1 30 14 16 1 31 14 37 1 32 14 38 1 33 15 18 1 34 15 39 1 35 15 40 1 36 16 19 1 37 16 41 1 38 16 42 1 39 17 20 1 40 17 43 1 41 18 21 2 42 18 45 1 43 19 46 1 44 19 47 1 45 19 48 1 46 20 23 2 47 20 49 1 48 21 22 1 49 21 50 1 50 22 23 1 51 22 51 1 52 22 52 1 53 23 53 1