@MOLECULE (5z,9beta,11alpha,12alpha,13e,15s)-9-chloro-11,15-dihydroxyprosta-5,13-dien-1-oic acid 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.8568 3.4419 -0.2077 C.3 1 UNL111111111 -0.4403 2 C 7.6512 2.9957 0.6193 C.3 1 UNL111111111 -0.2506 3 C 6.5542 2.4120 -0.2815 C.3 1 UNL111111111 -0.2734 4 C 5.3595 1.9434 0.5571 C.3 1 UNL111111111 -0.2678 5 C 4.2739 1.3283 -0.3318 C.3 1 UNL111111111 -0.3342 6 C 3.1609 0.7151 0.5340 C.3 1 UNL111111111 0.1546 7 O 3.7064 -0.2378 1.4238 O.3 1 UNL111111111 -0.5510 8 C 2.0891 0.1005 -0.3202 C.2 1 UNL111111111 -0.2325 9 C 1.5372 -1.0776 -0.0248 C.2 1 UNL111111111 -0.1510 10 C 0.4753 -1.7116 -0.8615 C.3 1 UNL111111111 -0.1628 11 C 1.0034 -3.0416 -1.4562 C.3 1 UNL111111111 0.1623 12 O 0.6119 -2.9946 -2.8148 O.3 1 UNL111111111 -0.5657 13 C 0.2820 -4.1819 -0.7198 C.3 1 UNL111111111 -0.3686 14 C -1.0145 -3.5598 -0.2157 C.3 1 UNL111111111 0.0052 15 CL -1.4598 -4.3228 1.3417 Cl 1 UNL111111111 -0.2088 16 C -0.7697 -2.0593 0.0000 C.3 1 UNL111111111 -0.1323 17 C -1.9836 -1.2129 -0.4112 C.3 1 UNL111111111 -0.2933 18 C -3.1152 -1.3861 0.5476 C.2 1 UNL111111111 -0.1641 19 C -3.8001 -0.3979 1.1300 C.2 1 UNL111111111 -0.1598 20 C -3.5675 1.0654 0.9367 C.3 1 UNL111111111 -0.2742 21 C -4.8450 1.7233 0.3948 C.3 1 UNL111111111 -0.2506 22 C -4.6080 3.2076 0.1069 C.3 1 UNL111111111 -0.3496 23 C -5.8774 3.8573 -0.3381 C.2 1 UNL111111111 0.6466 24 O -7.0013 3.4324 -0.3305 O.2 1 UNL111111111 -0.5033 25 O -5.6184 5.1136 -0.7968 O.3 1 UNL111111111 -0.5758 26 H 9.6449 3.8570 0.4305 H 1 UNL111111111 0.1417 27 H 9.2924 2.6050 -0.7650 H 1 UNL111111111 0.1424 28 H 8.5807 4.2138 -0.9343 H 1 UNL111111111 0.1419 29 H 7.9647 2.2436 1.3682 H 1 UNL111111111 0.1359 30 H 7.2520 3.8499 1.1982 H 1 UNL111111111 0.1343 31 H 6.2302 3.1676 -1.0206 H 1 UNL111111111 0.1356 32 H 6.9610 1.5685 -0.8697 H 1 UNL111111111 0.1354 33 H 5.6911 1.2026 1.3128 H 1 UNL111111111 0.1527 34 H 4.9442 2.7890 1.1367 H 1 UNL111111111 0.1387 35 H 3.8532 2.0951 -1.0077 H 1 UNL111111111 0.1471 36 H 4.7107 0.5533 -0.9890 H 1 UNL111111111 0.1457 37 H 2.7265 1.4637 1.2415 H 1 UNL111111111 0.1519 38 H 4.2190 -0.9145 0.9401 H 1 UNL111111111 0.3127 39 H 1.7921 0.6893 -1.1845 H 1 UNL111111111 0.1535 40 H 1.8335 -1.6455 0.8611 H 1 UNL111111111 0.1650 41 H 0.1815 -1.0491 -1.7148 H 1 UNL111111111 0.1759 42 H 2.1069 -3.1303 -1.4170 H 1 UNL111111111 0.1213 43 H 0.8760 -3.8038 -3.2896 H 1 UNL111111111 0.3167 44 H 0.0966 -5.0463 -1.3791 H 1 UNL111111111 0.1600 45 H 0.9110 -4.5634 0.1078 H 1 UNL111111111 0.1722 46 H -1.8724 -3.7623 -0.8873 H 1 UNL111111111 0.1580 47 H -0.5457 -1.8494 1.0761 H 1 UNL111111111 0.1713 48 H -1.6740 -0.1488 -0.4841 H 1 UNL111111111 0.1522 49 H -2.3176 -1.4851 -1.4360 H 1 UNL111111111 0.1578 50 H -3.3770 -2.4261 0.7537 H 1 UNL111111111 0.1532 51 H -4.6177 -0.6273 1.8171 H 1 UNL111111111 0.1465 52 H -3.2780 1.5254 1.9049 H 1 UNL111111111 0.1472 53 H -2.7188 1.2642 0.2523 H 1 UNL111111111 0.1435 54 H -5.1796 1.2026 -0.5252 H 1 UNL111111111 0.1553 55 H -5.6790 1.6001 1.1156 H 1 UNL111111111 0.1577 56 H -4.2209 3.7311 1.0089 H 1 UNL111111111 0.1810 57 H -3.8185 3.3423 -0.6647 H 1 UNL111111111 0.1808 58 H -6.4223 5.5998 -1.1006 H 1 UNL111111111 0.3561 @BOND 1 1 2 1 2 1 26 1 3 1 27 1 4 1 28 1 5 2 29 1 6 2 30 1 7 3 4 1 8 3 2 1 9 3 31 1 10 3 32 1 11 4 33 1 12 4 34 1 13 5 4 1 14 5 6 1 15 5 35 1 16 5 36 1 17 6 8 1 18 6 37 1 19 7 6 1 20 7 38 1 21 8 9 2 22 8 39 1 23 9 10 1 24 9 40 1 25 10 16 1 26 10 41 1 27 11 10 1 28 11 13 1 29 11 42 1 30 12 11 1 31 12 43 1 32 13 14 1 33 13 44 1 34 13 45 1 35 14 15 1 36 14 46 1 37 16 17 1 38 16 14 1 39 16 47 1 40 17 18 1 41 17 48 1 42 17 49 1 43 18 19 2 44 18 50 1 45 19 20 1 46 19 51 1 47 20 21 1 48 20 52 1 49 20 53 1 50 21 22 1 51 21 54 1 52 21 55 1 53 22 23 1 54 22 56 1 55 22 57 1 56 23 25 1 57 24 23 2 58 25 58 1