@MOLECULE (9alpha,11alpha,13e,15s)-5,9,11,15-tetrahydroxy-6-oxoprost-13-en-1-oic acid 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4745 3.3415 0.6753 O.3 1 UNL1111111111 -0.5641 2 O 4.8296 1.3155 1.0099 O.3 1 UNL1111111111 -0.5849 3 O -0.7535 1.9557 -1.4333 O.2 1 UNL1111111111 -0.4624 4 O -2.3095 3.7419 -0.2062 O.3 1 UNL1111111111 -0.5261 5 O 3.6063 -4.3166 0.3374 O.3 1 UNL1111111111 -0.5652 6 O -5.5152 -1.8374 0.8525 O.3 1 UNL1111111111 -0.5737 7 O -5.2996 -0.4957 -0.9119 O.2 1 UNL1111111111 -0.5021 8 C 1.7635 1.2802 -0.4034 C.3 1 UNL1111111111 -0.1520 9 C 2.8624 0.3614 0.1805 C.3 1 UNL1111111111 -0.1634 10 C 2.4570 2.6599 -0.5539 C.3 1 UNL1111111111 0.1680 11 C 4.2152 1.0068 -0.2309 C.3 1 UNL1111111111 0.1634 12 C 3.8913 2.3069 -0.9880 C.3 1 UNL1111111111 -0.4090 13 C 0.5236 1.3463 0.4820 C.3 1 UNL1111111111 -0.3870 14 C 2.7365 -1.0295 -0.3402 C.2 1 UNL1111111111 -0.1644 15 C -0.5954 2.0437 -0.2408 C.2 1 UNL1111111111 0.4359 16 C 2.7171 -2.0980 0.4592 C.2 1 UNL1111111111 -0.2186 17 C -1.5699 2.8655 0.6020 C.3 1 UNL1111111111 0.0484 18 C 2.5217 -3.4884 -0.0713 C.3 1 UNL1111111111 0.1561 19 C -2.5130 1.9341 1.3785 C.3 1 UNL1111111111 -0.3135 20 C 1.2851 -4.1743 0.5341 C.3 1 UNL1111111111 -0.3036 21 C -3.4070 1.1343 0.4291 C.3 1 UNL1111111111 -0.2620 22 C 0.0496 -3.2720 0.5724 C.3 1 UNL1111111111 -0.2690 23 C -0.3636 -2.7814 -0.8207 C.3 1 UNL1111111111 -0.2714 24 C -4.1794 0.0539 1.1876 C.3 1 UNL1111111111 -0.3461 25 C -1.7052 -2.0391 -0.7534 C.3 1 UNL1111111111 -0.2516 26 C -5.0271 -0.7265 0.2356 C.2 1 UNL1111111111 0.6459 27 C -2.0005 -1.3211 -2.0688 C.3 1 UNL1111111111 -0.4549 28 H 1.4651 0.9216 -1.4205 H 1 UNL1111111111 0.1678 29 H 2.8108 0.3724 1.3004 H 1 UNL1111111111 0.1734 30 H 1.9224 3.3549 -1.2287 H 1 UNL1111111111 0.1495 31 H 4.8764 0.3225 -0.7935 H 1 UNL1111111111 0.1207 32 H 4.5920 3.1192 -0.7339 H 1 UNL1111111111 0.1667 33 H 3.9563 2.1691 -2.0784 H 1 UNL1111111111 0.1600 34 H 0.7619 1.8527 1.4409 H 1 UNL1111111111 0.1788 35 H 0.1950 0.3167 0.7483 H 1 UNL1111111111 0.1782 36 H 2.6383 -1.1129 -1.4232 H 1 UNL1111111111 0.1503 37 H 3.1027 2.9035 1.2951 H 1 UNL1111111111 0.3351 38 H 5.7265 1.6753 0.8853 H 1 UNL1111111111 0.3223 39 H 2.8339 -2.0361 1.5396 H 1 UNL1111111111 0.1623 40 H -1.0231 3.5607 1.2843 H 1 UNL1111111111 0.1651 41 H 2.4978 -3.5239 -1.1847 H 1 UNL1111111111 0.1212 42 H -3.1428 2.5509 2.0525 H 1 UNL1111111111 0.1610 43 H -1.9286 1.2639 2.0351 H 1 UNL1111111111 0.1440 44 H 1.0724 -5.1004 -0.0339 H 1 UNL1111111111 0.1514 45 H 1.5364 -4.5169 1.5596 H 1 UNL1111111111 0.1593 46 H -2.8085 0.6733 -0.3858 H 1 UNL1111111111 0.1632 47 H -4.1156 1.8153 -0.0901 H 1 UNL1111111111 0.1664 48 H 0.2341 -2.4050 1.2352 H 1 UNL1111111111 0.1349 49 H -0.7890 -3.8297 1.0347 H 1 UNL1111111111 0.1385 50 H -2.5172 3.3223 -1.0756 H 1 UNL1111111111 0.3337 51 H -0.4377 -3.6325 -1.5220 H 1 UNL1111111111 0.1391 52 H 0.4144 -2.1135 -1.2354 H 1 UNL1111111111 0.1391 53 H 4.4538 -3.8415 0.2548 H 1 UNL1111111111 0.3161 54 H -3.4905 -0.6275 1.7331 H 1 UNL1111111111 0.1797 55 H -4.8236 0.5040 1.9751 H 1 UNL1111111111 0.1816 56 H -1.6941 -1.3116 0.0791 H 1 UNL1111111111 0.1221 57 H -2.5170 -2.7547 -0.5219 H 1 UNL1111111111 0.1340 58 H -1.3141 -0.4807 -2.2351 H 1 UNL1111111111 0.1541 59 H -1.9105 -1.9958 -2.9266 H 1 UNL1111111111 0.1459 60 H -3.0219 -0.9169 -2.0857 H 1 UNL1111111111 0.1549 61 H -6.0928 -2.3921 0.2736 H 1 UNL1111111111 0.3573 @BOND 1 1 10 1 2 1 37 1 3 2 11 1 4 2 38 1 5 3 15 2 6 4 17 1 7 4 50 1 8 5 18 1 9 5 53 1 10 6 26 1 11 6 61 1 12 7 26 2 13 8 9 1 14 8 10 1 15 8 13 1 16 8 28 1 17 9 11 1 18 9 14 1 19 9 29 1 20 10 12 1 21 10 30 1 22 11 12 1 23 11 31 1 24 12 32 1 25 12 33 1 26 13 15 1 27 13 34 1 28 13 35 1 29 14 16 2 30 14 36 1 31 15 17 1 32 16 18 1 33 16 39 1 34 17 19 1 35 17 40 1 36 18 20 1 37 18 41 1 38 19 21 1 39 19 42 1 40 19 43 1 41 20 22 1 42 20 44 1 43 20 45 1 44 21 24 1 45 21 46 1 46 21 47 1 47 22 23 1 48 22 48 1 49 22 49 1 50 23 25 1 51 23 51 1 52 23 52 1 53 24 26 1 54 24 54 1 55 24 55 1 56 25 27 1 57 25 56 1 58 25 57 1 59 27 58 1 60 27 59 1 61 27 60 1