@MOLECULE (5z,11alpha,13e,15s)-11,15-dihydroxy-16-methyl-9-oxoprosta-5,13-dien-1-oic acid 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4758 -1.1880 2.9157 O.3 1 UNL1111111111 -0.5391 2 O 2.0244 -3.6708 -1.0424 O.2 1 UNL1111111111 -0.4393 3 O -2.6401 1.9047 2.7889 O.3 1 UNL1111111111 -0.5610 4 O 3.6694 0.7011 1.1150 O.3 1 UNL1111111111 -0.5647 5 O 4.9361 1.6221 -0.4650 O.2 1 UNL1111111111 -0.5140 6 C 0.2808 -1.2181 0.8704 C.3 1 UNL1111111111 -0.1505 7 C 0.2617 -2.1595 -0.3546 C.3 1 UNL1111111111 -0.2178 8 C 0.9309 -2.0871 1.9812 C.3 1 UNL1111111111 0.1619 9 C 2.0164 -2.8909 1.2367 C.3 1 UNL1111111111 -0.4641 10 C 1.5152 -3.0047 -0.1869 C.2 1 UNL1111111111 0.4820 11 C 0.1887 -1.4215 -1.6886 C.3 1 UNL1111111111 -0.2707 12 C -1.0848 -0.7469 1.2297 C.2 1 UNL1111111111 -0.1493 13 C -2.7442 1.0637 1.6470 C.3 1 UNL1111111111 0.1334 14 C -1.3889 0.5539 1.2644 C.2 1 UNL1111111111 -0.2122 15 C -3.3986 1.9680 0.5720 C.3 1 UNL1111111111 -0.1053 16 C 1.3553 -0.5243 -1.9251 C.2 1 UNL1111111111 -0.1616 17 C -3.6241 1.2150 -0.7485 C.3 1 UNL1111111111 -0.2897 18 C -4.4244 -0.0769 -0.5679 C.3 1 UNL1111111111 -0.2758 19 C -2.5423 3.2102 0.3078 C.3 1 UNL1111111111 -0.4438 20 C 1.2170 0.7789 -2.1824 C.2 1 UNL1111111111 -0.1661 21 C -4.5945 -0.7846 -1.9194 C.3 1 UNL1111111111 -0.2477 22 C 2.3851 1.6477 -2.5119 C.3 1 UNL1111111111 -0.2854 23 C 2.5037 2.8458 -1.5612 C.3 1 UNL1111111111 -0.2405 24 C -5.3328 -2.1120 -1.7447 C.3 1 UNL1111111111 -0.4401 25 C 2.6454 2.4095 -0.0998 C.3 1 UNL1111111111 -0.3400 26 C 3.8779 1.5874 0.1048 C.2 1 UNL1111111111 0.6520 27 H 0.9661 -0.3493 0.6767 H 1 UNL1111111111 0.1840 28 H -0.6207 -2.8424 -0.2929 H 1 UNL1111111111 0.1649 29 H 0.2005 -2.7382 2.4991 H 1 UNL1111111111 0.1166 30 H 2.9783 -2.3362 1.2456 H 1 UNL1111111111 0.1933 31 H 2.2271 -3.8736 1.6827 H 1 UNL1111111111 0.1734 32 H 0.1344 -2.1680 -2.5169 H 1 UNL1111111111 0.1652 33 H -0.7679 -0.8561 -1.7281 H 1 UNL1111111111 0.1511 34 H -1.8083 -1.5275 1.4558 H 1 UNL1111111111 0.1431 35 H -3.4403 0.2367 1.9273 H 1 UNL1111111111 0.1166 36 H -4.3841 2.2986 0.9865 H 1 UNL1111111111 0.1464 37 H -0.6612 1.3323 1.0403 H 1 UNL1111111111 0.1616 38 H 1.9619 -1.6654 3.6151 H 1 UNL1111111111 0.3136 39 H 2.3286 -1.0151 -1.8988 H 1 UNL1111111111 0.1549 40 H -2.6478 0.9869 -1.2191 H 1 UNL1111111111 0.1416 41 H -4.1553 1.8818 -1.4573 H 1 UNL1111111111 0.1411 42 H -3.9093 -0.7545 0.1375 H 1 UNL1111111111 0.1361 43 H -5.4127 0.1400 -0.1203 H 1 UNL1111111111 0.1386 44 H -3.0604 3.9196 -0.3445 H 1 UNL1111111111 0.1380 45 H -2.3180 3.7311 1.2512 H 1 UNL1111111111 0.1646 46 H -1.5876 2.9553 -0.1639 H 1 UNL1111111111 0.1397 47 H 0.2493 1.2771 -2.1932 H 1 UNL1111111111 0.1434 48 H -3.6026 -0.9621 -2.3756 H 1 UNL1111111111 0.1332 49 H -5.1455 -0.1342 -2.6251 H 1 UNL1111111111 0.1342 50 H -2.0507 1.5036 3.4565 H 1 UNL1111111111 0.3176 51 H 2.2795 2.0078 -3.5583 H 1 UNL1111111111 0.1491 52 H 3.3365 1.0740 -2.4993 H 1 UNL1111111111 0.1598 53 H 3.3793 3.4617 -1.8582 H 1 UNL1111111111 0.1514 54 H 1.6179 3.5019 -1.6682 H 1 UNL1111111111 0.1416 55 H -4.7916 -2.7874 -1.0773 H 1 UNL1111111111 0.1412 56 H -5.4559 -2.6260 -2.7046 H 1 UNL1111111111 0.1397 57 H -6.3340 -1.9615 -1.3249 H 1 UNL1111111111 0.1423 58 H 1.7456 1.8385 0.2237 H 1 UNL1111111111 0.1851 59 H 2.6886 3.2964 0.5699 H 1 UNL1111111111 0.1763 60 H 4.4549 0.1482 1.3385 H 1 UNL1111111111 0.3500 @BOND 1 1 8 1 2 1 38 1 3 2 10 2 4 3 13 1 5 3 50 1 6 4 26 1 7 4 60 1 8 5 26 2 9 6 7 1 10 6 8 1 11 6 12 1 12 6 27 1 13 7 10 1 14 7 11 1 15 7 28 1 16 8 9 1 17 8 29 1 18 9 10 1 19 9 30 1 20 9 31 1 21 11 16 1 22 11 32 1 23 11 33 1 24 12 14 2 25 12 34 1 26 13 14 1 27 13 15 1 28 13 35 1 29 14 37 1 30 15 17 1 31 15 19 1 32 15 36 1 33 16 20 2 34 16 39 1 35 17 18 1 36 17 40 1 37 17 41 1 38 18 21 1 39 18 42 1 40 18 43 1 41 19 44 1 42 19 45 1 43 19 46 1 44 20 22 1 45 20 47 1 46 21 24 1 47 21 48 1 48 21 49 1 49 22 23 1 50 22 51 1 51 22 52 1 52 23 25 1 53 23 53 1 54 23 54 1 55 24 55 1 56 24 56 1 57 24 57 1 58 25 26 1 59 25 58 1 60 25 59 1