@MOLECULE 15-hydroxy-5-oxo-6,8,11,13-icosatetraenoic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.3553 3.1149 -1.5406 O.3 1 UNL1111111111 -0.5624 2 O 5.6603 -0.9024 -2.3245 O.2 1 UNL1111111111 -0.4355 3 O 9.2239 1.6672 2.2623 O.3 1 UNL1111111111 -0.5801 4 O 9.6003 0.9708 0.1811 O.2 1 UNL1111111111 -0.4925 5 C -7.2163 0.6572 0.5070 C.3 1 UNL1111111111 -0.2758 6 C -6.8657 1.5590 -0.6780 C.3 1 UNL1111111111 -0.2954 7 C -8.6352 0.0952 0.3547 C.3 1 UNL1111111111 -0.2672 8 C -5.4260 2.0866 -0.5599 C.3 1 UNL1111111111 0.1490 9 C -8.9884 -0.8132 1.5399 C.3 1 UNL1111111111 -0.2509 10 C -10.3997 -1.3810 1.3892 C.3 1 UNL1111111111 -0.4409 11 C -4.4244 1.0176 -0.8801 C.2 1 UNL1111111111 -0.2057 12 C -3.7917 0.3063 0.0605 C.2 1 UNL1111111111 -0.1625 13 C 6.8944 0.1484 -0.1520 C.3 1 UNL1111111111 -0.2354 14 C 5.4212 -0.2522 -0.0540 C.3 1 UNL1111111111 -0.3801 15 C 7.3781 0.7363 1.1747 C.3 1 UNL1111111111 -0.3505 16 C -2.8205 -0.7280 -0.2682 C.2 1 UNL1111111111 -0.1649 17 C 4.9397 -0.8515 -1.3563 C.2 1 UNL1111111111 0.4667 18 C -1.9757 -1.2305 0.6419 C.2 1 UNL1111111111 -0.1370 19 C -0.9717 -2.2890 0.3084 C.3 1 UNL1111111111 -0.3040 20 C 8.8235 1.1045 1.0868 C.2 1 UNL1111111111 0.6443 21 C 3.5647 -1.3892 -1.4212 C.2 1 UNL1111111111 -0.3060 22 C 0.4080 -1.7243 0.4174 C.2 1 UNL1111111111 -0.0850 23 C 2.6545 -1.2767 -0.4431 C.2 1 UNL1111111111 -0.0652 24 C 1.3142 -1.8292 -0.5652 C.2 1 UNL1111111111 -0.2138 25 H -6.4883 -0.1746 0.5793 H 1 UNL1111111111 0.1417 26 H -7.1333 1.2202 1.4554 H 1 UNL1111111111 0.1360 27 H -7.5590 2.4227 -0.7356 H 1 UNL1111111111 0.1609 28 H -6.9913 1.0202 -1.6361 H 1 UNL1111111111 0.1541 29 H -9.3662 0.9217 0.2802 H 1 UNL1111111111 0.1388 30 H -8.7201 -0.4700 -0.5923 H 1 UNL1111111111 0.1386 31 H -5.2476 2.5632 0.4309 H 1 UNL1111111111 0.1212 32 H -8.2556 -1.6386 1.6158 H 1 UNL1111111111 0.1331 33 H -8.9080 -0.2482 2.4876 H 1 UNL1111111111 0.1327 34 H -11.1499 -0.5836 1.3436 H 1 UNL1111111111 0.1432 35 H -10.6596 -2.0293 2.2331 H 1 UNL1111111111 0.1400 36 H -10.4963 -1.9770 0.4747 H 1 UNL1111111111 0.1433 37 H -4.2618 0.8598 -1.9461 H 1 UNL1111111111 0.1632 38 H -4.4416 3.4437 -1.6323 H 1 UNL1111111111 0.3151 39 H -3.9697 0.4793 1.1237 H 1 UNL1111111111 0.1500 40 H 7.0438 0.8719 -0.9816 H 1 UNL1111111111 0.1694 41 H 7.5143 -0.7265 -0.4430 H 1 UNL1111111111 0.1688 42 H 5.2744 -0.9816 0.7675 H 1 UNL1111111111 0.1624 43 H 4.7983 0.6299 0.1976 H 1 UNL1111111111 0.1639 44 H 7.2288 0.0157 2.0088 H 1 UNL1111111111 0.1786 45 H 6.7803 1.6311 1.4559 H 1 UNL1111111111 0.1792 46 H -2.8119 -1.0685 -1.3053 H 1 UNL1111111111 0.1547 47 H -1.9663 -0.8933 1.6765 H 1 UNL1111111111 0.1460 48 H -1.1581 -2.7218 -0.6981 H 1 UNL1111111111 0.1598 49 H -1.0806 -3.1497 1.0097 H 1 UNL1111111111 0.1660 50 H 3.3401 -1.8976 -2.3630 H 1 UNL1111111111 0.1809 51 H 0.6247 -1.2156 1.3569 H 1 UNL1111111111 0.1452 52 H 2.8766 -0.7616 0.4952 H 1 UNL1111111111 0.1444 53 H 1.0820 -2.3346 -1.5045 H 1 UNL1111111111 0.1628 54 H 10.1740 1.9356 2.2714 H 1 UNL1111111111 0.3569 @BOND 1 1 8 1 2 1 38 1 3 2 17 2 4 3 20 1 5 3 54 1 6 4 20 2 7 5 6 1 8 5 7 1 9 5 25 1 10 5 26 1 11 6 8 1 12 6 27 1 13 6 28 1 14 7 9 1 15 7 29 1 16 7 30 1 17 8 11 1 18 8 31 1 19 9 10 1 20 9 32 1 21 9 33 1 22 10 34 1 23 10 35 1 24 10 36 1 25 11 12 2 26 11 37 1 27 12 16 1 28 12 39 1 29 13 14 1 30 13 15 1 31 13 40 1 32 13 41 1 33 14 17 1 34 14 42 1 35 14 43 1 36 15 20 1 37 15 44 1 38 15 45 1 39 16 18 2 40 16 46 1 41 17 21 1 42 18 19 1 43 18 47 1 44 19 22 1 45 19 48 1 46 19 49 1 47 21 23 2 48 21 50 1 49 22 24 2 50 22 51 1 51 23 24 1 52 23 52 1 53 24 53 1