@MOLECULE (5z,9beta,11alpha,15s)-15-hydroxy-11-methoxy-6,9-epoxyprosta-5,13-dien-1-oic acid 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4371 -2.3524 -0.6048 O.2 1 UNL1111111111 -0.3738 2 O 4.5461 0.7446 0.3198 O.3 1 UNL1111111111 -0.4020 3 O -0.7592 4.1575 0.5131 O.3 1 UNL1111111111 -0.5723 4 O -0.6504 0.3145 2.4804 O.3 1 UNL1111111111 -0.5894 5 O -2.7225 -0.4824 2.5948 O.2 1 UNL1111111111 -0.5137 6 C 2.4463 -0.4317 -1.6398 C.3 1 UNL1111111111 -0.1417 7 C 2.6960 -1.6719 -0.7447 C.3 1 UNL1111111111 0.1106 8 C 2.4394 0.7898 -0.6938 C.3 1 UNL1111111111 -0.1561 9 C 3.2124 0.3374 0.5769 C.3 1 UNL1111111111 0.1192 10 C 3.1276 -1.1970 0.6412 C.3 1 UNL1111111111 -0.3674 11 C 1.1044 -0.7477 -2.3204 C.3 1 UNL1111111111 -0.3288 12 C 0.5048 -1.8112 -1.4545 C.2 1 UNL1111111111 0.2300 13 C 1.0682 1.2085 -0.2737 C.2 1 UNL1111111111 -0.1486 14 C -0.7570 -2.2503 -1.4016 C.2 1 UNL1111111111 -0.3244 15 C 0.5921 2.4383 -0.4722 C.2 1 UNL1111111111 -0.2407 16 C 5.3460 0.8661 1.4787 C.3 1 UNL1111111111 -0.1952 17 C -0.7833 2.8413 -0.0307 C.3 1 UNL1111111111 0.1629 18 C -1.2163 -3.2776 -0.4219 C.3 1 UNL1111111111 -0.2401 19 C -1.7498 2.9376 -1.2214 C.3 1 UNL1111111111 -0.2995 20 C -1.9251 -2.6096 0.7691 C.3 1 UNL1111111111 -0.2494 21 C -2.3359 1.5724 -1.5898 C.3 1 UNL1111111111 -0.2731 22 C -0.9308 -1.8615 1.6649 C.3 1 UNL1111111111 -0.3521 23 C -3.4340 1.1420 -0.6097 C.3 1 UNL1111111111 -0.2699 24 C -4.1363 -0.1310 -1.0993 C.3 1 UNL1111111111 -0.2501 25 C -1.5767 -0.6690 2.2814 C.2 1 UNL1111111111 0.6556 26 C -5.1362 -0.6271 -0.0559 C.3 1 UNL1111111111 -0.4496 27 H 3.2553 -0.3097 -2.3877 H 1 UNL1111111111 0.1515 28 H 3.3758 -2.4182 -1.1930 H 1 UNL1111111111 0.1330 29 H 2.9894 1.6356 -1.1737 H 1 UNL1111111111 0.1653 30 H 2.8334 0.8238 1.4970 H 1 UNL1111111111 0.1295 31 H 2.3998 -1.5256 1.4065 H 1 UNL1111111111 0.1682 32 H 4.0986 -1.6325 0.9320 H 1 UNL1111111111 0.1601 33 H 1.2532 -1.1153 -3.3537 H 1 UNL1111111111 0.1629 34 H 0.4546 0.1429 -2.4110 H 1 UNL1111111111 0.1769 35 H 0.4835 0.4315 0.2280 H 1 UNL1111111111 0.1671 36 H -1.5156 -1.8546 -2.0675 H 1 UNL1111111111 0.1608 37 H 1.1585 3.2219 -0.9707 H 1 UNL1111111111 0.1585 38 H 6.3281 1.1413 1.0728 H 1 UNL1111111111 0.1458 39 H 5.4127 -0.0818 2.0203 H 1 UNL1111111111 0.1205 40 H 4.9680 1.6618 2.1288 H 1 UNL1111111111 0.1226 41 H -1.1886 2.1810 0.7709 H 1 UNL1111111111 0.1269 42 H -0.3688 -3.8963 -0.0609 H 1 UNL1111111111 0.1503 43 H -1.9095 -3.9901 -0.9143 H 1 UNL1111111111 0.1401 44 H -2.5577 3.6545 -0.9643 H 1 UNL1111111111 0.1634 45 H -1.2356 3.3867 -2.0909 H 1 UNL1111111111 0.1445 46 H -2.7060 -1.9154 0.3912 H 1 UNL1111111111 0.1635 47 H -2.4721 -3.3682 1.3594 H 1 UNL1111111111 0.1415 48 H -2.7489 1.6155 -2.6160 H 1 UNL1111111111 0.1373 49 H -1.5361 0.8072 -1.6197 H 1 UNL1111111111 0.1368 50 H 0.0470 4.3030 1.0397 H 1 UNL1111111111 0.3148 51 H -0.0303 -1.5566 1.0780 H 1 UNL1111111111 0.2012 52 H -0.5333 -2.5279 2.4584 H 1 UNL1111111111 0.1763 53 H -3.0069 0.9722 0.3975 H 1 UNL1111111111 0.1426 54 H -4.1745 1.9536 -0.4819 H 1 UNL1111111111 0.1404 55 H -4.6521 0.0635 -2.0578 H 1 UNL1111111111 0.1292 56 H -3.3887 -0.9189 -1.3143 H 1 UNL1111111111 0.1329 57 H -4.6539 -0.7874 0.9196 H 1 UNL1111111111 0.1609 58 H -5.9421 0.0976 0.1033 H 1 UNL1111111111 0.1425 59 H -5.5956 -1.5732 -0.3570 H 1 UNL1111111111 0.1351 60 H -1.0165 1.1281 2.9019 H 1 UNL1111111111 0.3561 @BOND 1 1 7 1 2 1 12 1 3 2 9 1 4 2 16 1 5 3 17 1 6 3 50 1 7 4 25 1 8 4 60 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 27 1 14 7 10 1 15 7 28 1 16 8 9 1 17 8 13 1 18 8 29 1 19 9 10 1 20 9 30 1 21 10 31 1 22 10 32 1 23 11 12 1 24 11 33 1 25 11 34 1 26 12 14 2 27 13 15 2 28 13 35 1 29 14 18 1 30 14 36 1 31 15 17 1 32 15 37 1 33 16 38 1 34 16 39 1 35 16 40 1 36 17 19 1 37 17 41 1 38 18 20 1 39 18 42 1 40 18 43 1 41 19 21 1 42 19 44 1 43 19 45 1 44 20 22 1 45 20 46 1 46 20 47 1 47 21 23 1 48 21 48 1 49 21 49 1 50 22 25 1 51 22 51 1 52 22 52 1 53 23 24 1 54 23 53 1 55 23 54 1 56 24 26 1 57 24 55 1 58 24 56 1 59 26 57 1 60 26 58 1 61 26 59 1