@MOLECULE 18-hydroxy-18-oxo-dinorleukotriene b4 50 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9335 -1.3705 1.7816 O.3 1 UNL1111111111 -0.5970 2 O 4.8581 2.9737 -1.2293 O.3 1 UNL1111111111 -0.5565 3 O -6.4597 1.1441 -2.2061 O.3 1 UNL1111111111 -0.5686 4 O -6.5421 0.1192 -0.2296 O.2 1 UNL1111111111 -0.5102 5 O 0.1897 -2.8977 1.1747 O.3 1 UNL1111111111 -0.5844 6 O -0.0347 -2.0722 -0.8856 O.2 1 UNL1111111111 -0.5580 7 C -2.2059 0.0604 -0.1792 C.3 1 UNL1111111111 -0.3382 8 C -3.6936 0.3573 0.0066 C.3 1 UNL1111111111 -0.2485 9 C -1.4823 -0.1767 1.1500 C.3 1 UNL1111111111 0.1618 10 C -4.3991 0.4298 -1.3509 C.3 1 UNL1111111111 -0.3453 11 C -1.6367 0.9659 2.1094 C.2 1 UNL1111111111 -0.1955 12 C 4.5126 0.6175 -1.5992 C.3 1 UNL1111111111 -0.3378 13 C 4.5439 1.7661 -0.5667 C.3 1 UNL1111111111 0.1590 14 C -5.8770 0.5187 -1.1487 C.2 1 UNL1111111111 0.6462 15 C 5.0114 -0.6520 -0.9956 C.2 1 UNL1111111111 -0.1680 16 C -0.6938 1.9024 2.2515 C.2 1 UNL1111111111 -0.1593 17 C 2.8040 -1.8299 -1.0210 C.3 1 UNL1111111111 -0.2636 18 C 3.2400 1.8972 0.1615 C.2 1 UNL1111111111 -0.2033 19 C 4.2679 -1.7359 -0.7508 C.2 1 UNL1111111111 -0.1578 20 C 2.1278 -2.8911 -0.1428 C.3 1 UNL1111111111 -0.3443 21 C 0.5638 1.9018 1.5019 C.2 1 UNL1111111111 -0.1539 22 C 2.8472 1.0249 1.0983 C.2 1 UNL1111111111 -0.1588 23 C 1.5890 1.0990 1.8247 C.2 1 UNL1111111111 -0.1586 24 C 0.6660 -2.5772 -0.0414 C.2 1 UNL1111111111 0.6633 25 H -1.7106 0.8886 -0.7202 H 1 UNL1111111111 0.1587 26 H -2.0588 -0.8341 -0.8261 H 1 UNL1111111111 0.1806 27 H -3.8295 1.3108 0.5565 H 1 UNL1111111111 0.1516 28 H -4.1767 -0.4175 0.6378 H 1 UNL1111111111 0.1505 29 H -0.4011 -0.4093 0.9672 H 1 UNL1111111111 0.1539 30 H -4.1694 -0.4691 -1.9672 H 1 UNL1111111111 0.1856 31 H -4.0267 1.2906 -1.9480 H 1 UNL1111111111 0.1834 32 H -2.5561 0.9658 2.6909 H 1 UNL1111111111 0.1616 33 H 5.1625 0.8980 -2.4588 H 1 UNL1111111111 0.1678 34 H 3.4981 0.5112 -2.0280 H 1 UNL1111111111 0.1541 35 H 5.4088 1.6680 0.1340 H 1 UNL1111111111 0.1566 36 H 6.0786 -0.6457 -0.7661 H 1 UNL1111111111 0.1465 37 H -2.8796 -1.5401 1.6072 H 1 UNL1111111111 0.3373 38 H -0.8126 2.7413 2.9414 H 1 UNL1111111111 0.1602 39 H 2.3133 -0.8419 -0.8603 H 1 UNL1111111111 0.1667 40 H 2.6258 -2.0582 -2.0953 H 1 UNL1111111111 0.1633 41 H 4.7204 -2.6350 -0.3312 H 1 UNL1111111111 0.1463 42 H 2.6476 2.7671 -0.1158 H 1 UNL1111111111 0.1562 43 H 2.5845 -2.9216 0.8711 H 1 UNL1111111111 0.1839 44 H 2.2681 -3.9079 -0.5623 H 1 UNL1111111111 0.1757 45 H 0.6009 2.6015 0.6665 H 1 UNL1111111111 0.1556 46 H 3.4823 0.1732 1.3660 H 1 UNL1111111111 0.1578 47 H 1.5108 0.4198 2.6803 H 1 UNL1111111111 0.1605 48 H 4.1758 3.2165 -1.8829 H 1 UNL1111111111 0.3123 49 H -7.4424 1.2186 -2.1333 H 1 UNL1111111111 0.3561 50 H -0.7186 -2.5153 1.3863 H 1 UNL1111111111 0.3946 @BOND 1 1 9 1 2 1 37 1 3 2 13 1 4 2 48 1 5 3 14 1 6 3 49 1 7 4 14 2 8 5 24 1 9 5 50 1 10 6 24 2 11 7 8 1 12 7 9 1 13 7 25 1 14 7 26 1 15 8 10 1 16 8 27 1 17 8 28 1 18 9 11 1 19 9 29 1 20 10 14 1 21 10 30 1 22 10 31 1 23 11 16 2 24 11 32 1 25 12 13 1 26 12 15 1 27 12 33 1 28 12 34 1 29 13 18 1 30 13 35 1 31 15 19 2 32 15 36 1 33 16 21 1 34 16 38 1 35 17 19 1 36 17 20 1 37 17 39 1 38 17 40 1 39 18 22 2 40 18 42 1 41 19 41 1 42 20 24 1 43 20 43 1 44 20 44 1 45 21 23 2 46 21 45 1 47 22 23 1 48 22 46 1 49 23 47 1