@MOLECULE methyl (2e,11alpha,13e,15s)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-2,13-dien-1-oate 66 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0495 3.3737 -0.4320 O.3 1 UNL1111111111 -0.5600 2 O 1.2356 3.9799 1.0317 O.2 1 UNL1111111111 -0.4550 3 O -1.0928 -2.8442 -1.4889 O.3 1 UNL1111111111 -0.5581 4 O 5.4572 -1.9253 1.9529 O.3 1 UNL1111111111 -0.4047 5 O 4.3133 -2.7351 0.1957 O.2 1 UNL1111111111 -0.5204 6 C -1.2971 1.8170 -0.3459 C.3 1 UNL1111111111 -0.1488 7 C 0.1877 2.0570 0.0137 C.3 1 UNL1111111111 -0.2217 8 C -2.1262 2.8282 0.4884 C.3 1 UNL1111111111 0.1651 9 C -1.1592 3.9142 0.9856 C.3 1 UNL1111111111 -0.4630 10 C 1.0870 2.0210 -1.2242 C.3 1 UNL1111111111 -0.2636 11 C 0.2331 3.4017 0.7123 C.2 1 UNL1111111111 0.4856 12 C -3.3678 -2.3486 -1.0913 C.3 1 UNL1111111111 0.0896 13 C -1.6611 0.3989 -0.0586 C.2 1 UNL1111111111 -0.1728 14 C -1.9055 -1.9957 -0.6870 C.3 1 UNL1111111111 0.1201 15 C 2.5579 1.8754 -0.8235 C.3 1 UNL1111111111 -0.2773 16 C -1.5557 -0.5658 -0.9752 C.2 1 UNL1111111111 -0.2033 17 C -4.3675 -1.4180 -0.3725 C.3 1 UNL1111111111 -0.3100 18 C 3.4490 1.6870 -2.0571 C.3 1 UNL1111111111 -0.2548 19 C -3.5357 -2.1666 -2.6076 C.3 1 UNL1111111111 -0.4583 20 C -3.6243 -3.8162 -0.7271 C.3 1 UNL1111111111 -0.4596 21 C -4.3466 -1.5317 1.1563 C.3 1 UNL1111111111 -0.2694 22 C 4.8488 1.1996 -1.6447 C.3 1 UNL1111111111 -0.3030 23 C -5.0955 -0.3509 1.7907 C.3 1 UNL1111111111 -0.2512 24 C -5.0108 -0.4084 3.3155 C.3 1 UNL1111111111 -0.4404 25 C 4.7421 -0.1694 -1.0614 C.2 1 UNL1111111111 0.0030 26 C 5.0868 -0.4574 0.2002 C.2 1 UNL1111111111 -0.3336 27 C 4.8895 -1.8128 0.7206 C.2 1 UNL1111111111 0.6070 28 C 5.3318 -3.1954 2.5817 C.3 1 UNL1111111111 -0.1710 29 H -1.4784 2.0572 -1.4272 H 1 UNL1111111111 0.1809 30 H 0.5338 1.2789 0.7418 H 1 UNL1111111111 0.1774 31 H -2.6893 2.3498 1.3143 H 1 UNL1111111111 0.1203 32 H -1.3203 4.8677 0.4415 H 1 UNL1111111111 0.1925 33 H -1.2915 4.1566 2.0530 H 1 UNL1111111111 0.1762 34 H 0.7870 1.1695 -1.8694 H 1 UNL1111111111 0.1480 35 H 0.9438 2.9315 -1.8362 H 1 UNL1111111111 0.1430 36 H -2.0061 0.1956 0.9547 H 1 UNL1111111111 0.1504 37 H -1.7198 -2.2682 0.3772 H 1 UNL1111111111 0.1202 38 H 2.6755 1.0166 -0.1332 H 1 UNL1111111111 0.1464 39 H 2.8845 2.7640 -0.2450 H 1 UNL1111111111 0.1621 40 H -1.2182 -0.3832 -1.9945 H 1 UNL1111111111 0.1627 41 H -4.1647 -0.3702 -0.6735 H 1 UNL1111111111 0.1506 42 H -5.3881 -1.6354 -0.7416 H 1 UNL1111111111 0.1431 43 H -3.4192 -1.1200 -2.9057 H 1 UNL1111111111 0.1436 44 H -4.5193 -2.5055 -2.9451 H 1 UNL1111111111 0.1405 45 H -2.7792 -2.7483 -3.1530 H 1 UNL1111111111 0.1660 46 H -3.4936 -4.0032 0.3425 H 1 UNL1111111111 0.1402 47 H -4.6386 -4.1231 -0.9988 H 1 UNL1111111111 0.1428 48 H -2.9218 -4.4732 -1.2599 H 1 UNL1111111111 0.1649 49 H 3.5315 2.6384 -2.6140 H 1 UNL1111111111 0.1388 50 H 2.9896 0.9653 -2.7597 H 1 UNL1111111111 0.1404 51 H -3.6773 3.9747 0.0100 H 1 UNL1111111111 0.3162 52 H -4.8076 -2.4856 1.4732 H 1 UNL1111111111 0.1387 53 H -3.3089 -1.5611 1.5346 H 1 UNL1111111111 0.1335 54 H 5.3048 1.9216 -0.9368 H 1 UNL1111111111 0.1581 55 H 5.5232 1.1859 -2.5266 H 1 UNL1111111111 0.1555 56 H -4.6758 0.6052 1.4244 H 1 UNL1111111111 0.1326 57 H -6.1533 -0.3585 1.4672 H 1 UNL1111111111 0.1353 58 H -0.1498 -2.7217 -1.2654 H 1 UNL1111111111 0.3154 59 H -3.9735 -0.3506 3.6632 H 1 UNL1111111111 0.1409 60 H -5.4361 -1.3405 3.7045 H 1 UNL1111111111 0.1428 61 H -5.5611 0.4187 3.7763 H 1 UNL1111111111 0.1376 62 H 4.3313 -0.9347 -1.7301 H 1 UNL1111111111 0.1622 63 H 5.5061 0.2691 0.8942 H 1 UNL1111111111 0.1859 64 H 4.2754 -3.4411 2.7326 H 1 UNL1111111111 0.1388 65 H 5.8182 -3.9673 1.9757 H 1 UNL1111111111 0.1402 66 H 5.8501 -3.0502 3.5364 H 1 UNL1111111111 0.1450 @BOND 1 1 8 1 2 1 51 1 3 2 11 2 4 3 14 1 5 3 58 1 6 4 27 1 7 4 28 1 8 5 27 2 9 6 7 1 10 6 8 1 11 6 13 1 12 6 29 1 13 7 10 1 14 7 11 1 15 7 30 1 16 8 9 1 17 8 31 1 18 9 11 1 19 9 32 1 20 9 33 1 21 10 15 1 22 10 34 1 23 10 35 1 24 12 14 1 25 12 17 1 26 12 19 1 27 12 20 1 28 13 16 2 29 13 36 1 30 14 16 1 31 14 37 1 32 15 18 1 33 15 38 1 34 15 39 1 35 16 40 1 36 17 21 1 37 17 41 1 38 17 42 1 39 18 22 1 40 18 49 1 41 18 50 1 42 19 43 1 43 19 44 1 44 19 45 1 45 20 46 1 46 20 47 1 47 20 48 1 48 21 23 1 49 21 52 1 50 21 53 1 51 22 25 1 52 22 54 1 53 22 55 1 54 23 24 1 55 23 56 1 56 23 57 1 57 24 59 1 58 24 60 1 59 24 61 1 60 25 26 2 61 25 62 1 62 26 27 1 63 26 63 1 64 28 64 1 65 28 65 1 66 28 66 1