@MOLECULE (5z,8z,11z,14z,18r)-18-hydroxy-5,8,11,14-icosatetraenoic acid 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8648 -0.3007 0.3968 O.3 1 UNL1111111111 -0.5801 2 O 4.6447 -1.5232 -1.0336 O.3 1 UNL1111111111 -0.5779 3 O 4.4021 -1.8000 1.1609 O.2 1 UNL1111111111 -0.5161 4 C -2.8289 -1.7060 0.2421 C.3 1 UNL1111111111 0.1662 5 C -1.7108 -2.3046 1.1079 C.3 1 UNL1111111111 -0.3267 6 C -4.1968 -2.3042 0.6049 C.3 1 UNL1111111111 -0.3162 7 C -0.3411 -1.7347 0.7142 C.3 1 UNL1111111111 -0.2751 8 C -5.2721 -1.7753 -0.3409 C.3 1 UNL1111111111 -0.4290 9 C 0.1457 -2.3156 -0.5736 C.2 1 UNL1111111111 -0.1632 10 C 0.0842 -1.7281 -1.7726 C.2 1 UNL1111111111 -0.1638 11 C 2.4844 0.3004 1.3273 C.3 1 UNL1111111111 -0.2497 12 C 1.4847 1.4460 1.1297 C.3 1 UNL1111111111 -0.2903 13 C -0.5248 -0.3916 -2.0518 C.3 1 UNL1111111111 -0.3002 14 C 3.0314 -0.1631 -0.0246 C.3 1 UNL1111111111 -0.3555 15 C 0.6842 1.6864 2.3656 C.2 1 UNL1111111111 -0.1485 16 C 0.5090 0.6253 -2.4092 C.2 1 UNL1111111111 -0.1643 17 C -1.3734 2.4224 1.1370 C.3 1 UNL1111111111 -0.2955 18 C -0.5774 2.1297 2.3705 C.2 1 UNL1111111111 -0.1785 19 C -0.9409 2.6137 -1.8935 C.3 1 UNL1111111111 -0.2865 20 C 0.3241 1.9471 -2.3332 C.2 1 UNL1111111111 -0.1629 21 C -0.8197 3.6100 0.4147 C.2 1 UNL1111111111 -0.1374 22 C -0.6310 3.6941 -0.9050 C.2 1 UNL1111111111 -0.1772 23 C 4.0612 -1.2243 0.1620 C.2 1 UNL1111111111 0.6544 24 H -2.6076 -1.8138 -0.8447 H 1 UNL1111111111 0.1482 25 H -1.9050 -2.0941 2.1759 H 1 UNL1111111111 0.1408 26 H -1.7071 -3.4054 1.0082 H 1 UNL1111111111 0.1491 27 H -4.1525 -3.4077 0.5549 H 1 UNL1111111111 0.1417 28 H -4.4556 -2.0579 1.6511 H 1 UNL1111111111 0.1390 29 H 0.3930 -1.9478 1.5206 H 1 UNL1111111111 0.1469 30 H -0.4009 -0.6249 0.6665 H 1 UNL1111111111 0.1648 31 H -6.2729 -2.0909 -0.0297 H 1 UNL1111111111 0.1369 32 H -5.1165 -2.1290 -1.3663 H 1 UNL1111111111 0.1421 33 H -5.2613 -0.6765 -0.3726 H 1 UNL1111111111 0.1594 34 H 0.5859 -3.3091 -0.4695 H 1 UNL1111111111 0.1422 35 H -3.0385 -0.0479 1.3221 H 1 UNL1111111111 0.3171 36 H 0.4891 -2.2242 -2.6560 H 1 UNL1111111111 0.1432 37 H 2.0005 -0.5499 1.8502 H 1 UNL1111111111 0.1520 38 H 3.3109 0.6187 1.9923 H 1 UNL1111111111 0.1518 39 H 0.8229 1.2344 0.2590 H 1 UNL1111111111 0.1663 40 H 2.0171 2.3798 0.8477 H 1 UNL1111111111 0.1558 41 H -1.2596 -0.4817 -2.8851 H 1 UNL1111111111 0.1597 42 H -1.1364 -0.0423 -1.1850 H 1 UNL1111111111 0.1779 43 H 3.4538 0.6897 -0.5983 H 1 UNL1111111111 0.1827 44 H 2.2021 -0.5564 -0.6640 H 1 UNL1111111111 0.1969 45 H 1.2112 1.4895 3.2997 H 1 UNL1111111111 0.1450 46 H 1.4564 0.2148 -2.7621 H 1 UNL1111111111 0.1484 47 H -1.3943 1.5191 0.4805 H 1 UNL1111111111 0.1726 48 H -2.4402 2.6129 1.3846 H 1 UNL1111111111 0.1516 49 H -1.1047 2.3075 3.3058 H 1 UNL1111111111 0.1406 50 H -1.4577 3.0456 -2.7809 H 1 UNL1111111111 0.1568 51 H -1.6726 1.8858 -1.4794 H 1 UNL1111111111 0.1603 52 H 1.1204 2.6398 -2.6078 H 1 UNL1111111111 0.1451 53 H -0.5682 4.4465 1.0690 H 1 UNL1111111111 0.1444 54 H -0.2139 4.5975 -1.3504 H 1 UNL1111111111 0.1417 55 H 5.3326 -2.2272 -0.9755 H 1 UNL1111111111 0.3532 @BOND 1 1 4 1 2 1 35 1 3 2 23 1 4 2 55 1 5 3 23 2 6 4 5 1 7 4 6 1 8 4 24 1 9 5 7 1 10 5 25 1 11 5 26 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 9 1 16 7 29 1 17 7 30 1 18 8 31 1 19 8 32 1 20 8 33 1 21 9 10 2 22 9 34 1 23 10 13 1 24 10 36 1 25 11 12 1 26 11 14 1 27 11 37 1 28 11 38 1 29 12 15 1 30 12 39 1 31 12 40 1 32 13 16 1 33 13 41 1 34 13 42 1 35 14 23 1 36 14 43 1 37 14 44 1 38 15 18 2 39 15 45 1 40 16 20 2 41 16 46 1 42 17 18 1 43 17 21 1 44 17 47 1 45 17 48 1 46 18 49 1 47 19 20 1 48 19 22 1 49 19 50 1 50 19 51 1 51 20 52 1 52 21 22 2 53 21 53 1 54 22 54 1