@MOLECULE 13,14-dihydro pge1 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8804 -4.3119 1.4521 O.3 1 UNL1111111111 -0.5676 2 O 0.2509 -2.9669 -2.2198 O.2 1 UNL1111111111 -0.4674 3 O -5.7250 -0.6619 0.4962 O.3 1 UNL1111111111 -0.5742 4 O 8.3473 2.2957 -0.4814 O.3 1 UNL1111111111 -0.5794 5 O 7.8202 1.1517 1.3608 O.2 1 UNL1111111111 -0.5044 6 C -1.8481 -2.2495 0.5941 C.3 1 UNL1111111111 -0.1754 7 C -0.6841 -1.8075 -0.3198 C.3 1 UNL1111111111 -0.2201 8 C -1.8370 -3.8022 0.5406 C.3 1 UNL1111111111 0.1598 9 C -3.2052 -1.7379 0.0963 C.3 1 UNL1111111111 -0.2796 10 C -1.2694 -4.1890 -0.8292 C.3 1 UNL1111111111 -0.4198 11 C 0.6134 -1.5579 0.4712 C.3 1 UNL1111111111 -0.2666 12 C -0.4680 -2.9845 -1.2600 C.2 1 UNL1111111111 0.4951 13 C -3.4206 -0.2703 0.4704 C.3 1 UNL1111111111 -0.2937 14 C 1.6330 -0.7799 -0.3711 C.3 1 UNL1111111111 -0.2839 15 C -4.7701 0.2298 -0.0636 C.3 1 UNL1111111111 0.1629 16 C 2.9428 -0.5643 0.3964 C.3 1 UNL1111111111 -0.2668 17 C -5.0773 1.6633 0.3933 C.3 1 UNL1111111111 -0.3481 18 C 3.9364 0.2514 -0.4463 C.3 1 UNL1111111111 -0.2689 19 C -4.1242 2.6708 -0.2628 C.3 1 UNL1111111111 -0.2659 20 C 5.2409 0.4819 0.3293 C.3 1 UNL1111111111 -0.2566 21 C -4.4889 4.1034 0.1478 C.3 1 UNL1111111111 -0.2709 22 C -3.5433 5.1152 -0.5066 C.3 1 UNL1111111111 -0.2519 23 C 6.2219 1.3331 -0.4806 C.3 1 UNL1111111111 -0.3484 24 C -3.8997 6.5415 -0.0902 C.3 1 UNL1111111111 -0.4408 25 C 7.4959 1.5413 0.2708 C.2 1 UNL1111111111 0.6484 26 H -1.6794 -1.9021 1.6355 H 1 UNL1111111111 0.1493 27 H -0.9490 -0.8987 -0.9039 H 1 UNL1111111111 0.1659 28 H -2.8169 -4.2589 0.7679 H 1 UNL1111111111 0.1227 29 H -3.2980 -1.8788 -0.9952 H 1 UNL1111111111 0.1436 30 H -4.0290 -2.3394 0.5396 H 1 UNL1111111111 0.1634 31 H -0.6141 -5.0840 -0.7532 H 1 UNL1111111111 0.1999 32 H -2.0490 -4.4539 -1.5635 H 1 UNL1111111111 0.1769 33 H 0.3877 -0.9996 1.3957 H 1 UNL1111111111 0.1392 34 H 1.0426 -2.5251 0.8069 H 1 UNL1111111111 0.1576 35 H -2.6001 0.3602 0.0791 H 1 UNL1111111111 0.1446 36 H -3.3996 -0.1604 1.5717 H 1 UNL1111111111 0.1519 37 H 1.8332 -1.3303 -1.3162 H 1 UNL1111111111 0.1623 38 H 1.2048 0.1928 -0.6715 H 1 UNL1111111111 0.1340 39 H -4.8376 0.1311 -1.1685 H 1 UNL1111111111 0.1154 40 H 3.3869 -1.5409 0.6726 H 1 UNL1111111111 0.1425 41 H 2.7457 -0.0445 1.3528 H 1 UNL1111111111 0.1349 42 H -1.0877 -4.0584 2.3687 H 1 UNL1111111111 0.3160 43 H -5.0098 1.7281 1.4991 H 1 UNL1111111111 0.1555 44 H -6.1239 1.9249 0.1441 H 1 UNL1111111111 0.1418 45 H 3.4852 1.2164 -0.7275 H 1 UNL1111111111 0.1341 46 H 4.1410 -0.2769 -1.4004 H 1 UNL1111111111 0.1428 47 H -3.0787 2.4528 0.0288 H 1 UNL1111111111 0.1398 48 H -4.1610 2.5715 -1.3632 H 1 UNL1111111111 0.1384 49 H -6.6314 -0.3348 0.3589 H 1 UNL1111111111 0.3131 50 H 5.0221 0.9728 1.2988 H 1 UNL1111111111 0.1506 51 H 5.7042 -0.4899 0.5889 H 1 UNL1111111111 0.1548 52 H -4.4478 4.2033 1.2493 H 1 UNL1111111111 0.1387 53 H -5.5346 4.3262 -0.1355 H 1 UNL1111111111 0.1373 54 H -3.5875 5.0197 -1.6082 H 1 UNL1111111111 0.1343 55 H -2.4961 4.8926 -0.2264 H 1 UNL1111111111 0.1344 56 H 5.7747 2.3157 -0.7450 H 1 UNL1111111111 0.1802 57 H 6.4462 0.8515 -1.4584 H 1 UNL1111111111 0.1831 58 H -4.9355 6.7911 -0.3789 H 1 UNL1111111111 0.1439 59 H -3.2378 7.2740 -0.5642 H 1 UNL1111111111 0.1424 60 H -3.8169 6.6735 0.9935 H 1 UNL1111111111 0.1432 61 H 9.2183 2.4741 -0.0572 H 1 UNL1111111111 0.3557 @BOND 1 1 8 1 2 1 42 1 3 2 12 2 4 3 15 1 5 3 49 1 6 4 25 1 7 4 61 1 8 5 25 2 9 6 7 1 10 6 8 1 11 6 9 1 12 6 26 1 13 7 11 1 14 7 12 1 15 7 27 1 16 8 10 1 17 8 28 1 18 9 13 1 19 9 29 1 20 9 30 1 21 10 12 1 22 10 31 1 23 10 32 1 24 11 14 1 25 11 33 1 26 11 34 1 27 13 15 1 28 13 35 1 29 13 36 1 30 14 16 1 31 14 37 1 32 14 38 1 33 15 17 1 34 15 39 1 35 16 18 1 36 16 40 1 37 16 41 1 38 17 19 1 39 17 43 1 40 17 44 1 41 18 20 1 42 18 45 1 43 18 46 1 44 19 21 1 45 19 47 1 46 19 48 1 47 20 23 1 48 20 50 1 49 20 51 1 50 21 22 1 51 21 52 1 52 21 53 1 53 22 24 1 54 22 54 1 55 22 55 1 56 23 25 1 57 23 56 1 58 23 57 1 59 24 58 1 60 24 59 1 61 24 60 1