@MOLECULE methyl (5z,9alpha,13e,15s)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2356 -0.6615 2.8494 O.3 1 UNL1111111111 -0.5560 2 O -3.1787 2.5777 0.1508 O.2 1 UNL1111111111 -0.4458 3 O 1.5755 4.2859 -0.5773 O.3 1 UNL1111111111 -0.5671 4 O -2.0300 -0.9906 -2.4601 O.3 1 UNL1111111111 -0.4356 5 O 0.1070 -0.3477 -2.7116 O.2 1 UNL1111111111 -0.5084 6 C -1.6431 -0.5019 1.0994 C.3 1 UNL1111111111 -0.1218 7 C -1.5307 1.0398 1.0447 C.3 1 UNL1111111111 -0.2380 8 C -3.1306 -0.7682 1.4447 C.3 1 UNL1111111111 0.1538 9 C -3.9130 0.3766 0.7761 C.3 1 UNL1111111111 -0.4589 10 C -2.9110 1.4958 0.5903 C.2 1 UNL1111111111 0.4958 11 C -0.6579 -1.1251 2.0898 C.3 1 UNL1111111111 -0.2780 12 C -0.4545 1.4924 0.1229 C.2 1 UNL1111111111 -0.1637 13 C -0.4895 -2.5839 1.8077 C.2 1 UNL1111111111 -0.1640 14 C 0.4130 2.4573 0.4336 C.2 1 UNL1111111111 -0.2030 15 C 1.5126 2.8658 -0.5050 C.3 1 UNL1111111111 0.1528 16 C 2.8910 2.4539 0.0366 C.3 1 UNL1111111111 -0.2948 17 C 0.2810 -3.0947 0.8419 C.2 1 UNL1111111111 -0.1705 18 C 3.0304 0.9307 0.0768 C.3 1 UNL1111111111 -0.2741 19 C 1.1057 -2.2953 -0.1109 C.3 1 UNL1111111111 -0.2835 20 C 4.4139 0.5331 0.6064 C.3 1 UNL1111111111 -0.2675 21 C 0.9882 -2.8220 -1.5484 C.3 1 UNL1111111111 -0.2438 22 C 4.5450 -0.9926 0.7017 C.3 1 UNL1111111111 -0.2507 23 C -0.4290 -2.6461 -2.1029 C.3 1 UNL1111111111 -0.3515 24 C 5.9353 -1.3925 1.1956 C.3 1 UNL1111111111 -0.4411 25 C -0.6876 -1.2134 -2.4543 C.2 1 UNL1111111111 0.6117 26 C -2.4604 0.3120 -2.8415 C.3 1 UNL1111111111 -0.1703 27 H -1.4530 -0.9244 0.0811 H 1 UNL1111111111 0.1527 28 H -1.3738 1.4383 2.0821 H 1 UNL1111111111 0.1887 29 H -3.4672 -1.7758 1.1381 H 1 UNL1111111111 0.1198 30 H -4.3433 0.0746 -0.1947 H 1 UNL1111111111 0.1793 31 H -4.7649 0.7160 1.3915 H 1 UNL1111111111 0.1818 32 H 0.3183 -0.5982 2.0296 H 1 UNL1111111111 0.1548 33 H -1.0069 -0.9645 3.1331 H 1 UNL1111111111 0.1706 34 H -0.4079 0.9713 -0.8363 H 1 UNL1111111111 0.1626 35 H -1.0627 -3.2359 2.4669 H 1 UNL1111111111 0.1425 36 H -4.1518 -0.8195 3.1445 H 1 UNL1111111111 0.3146 37 H 0.3882 3.0066 1.3724 H 1 UNL1111111111 0.1621 38 H 1.3569 2.4914 -1.5436 H 1 UNL1111111111 0.1307 39 H 3.6754 2.9046 -0.6028 H 1 UNL1111111111 0.1545 40 H 3.0444 2.8926 1.0405 H 1 UNL1111111111 0.1516 41 H 0.3559 -4.1742 0.7045 H 1 UNL1111111111 0.1404 42 H 2.8730 0.5060 -0.9337 H 1 UNL1111111111 0.1436 43 H 2.2395 0.4935 0.7160 H 1 UNL1111111111 0.1379 44 H 2.1701 -2.3307 0.2111 H 1 UNL1111111111 0.1544 45 H 0.8380 -1.2174 -0.0906 H 1 UNL1111111111 0.1599 46 H 4.5859 0.9886 1.5993 H 1 UNL1111111111 0.1373 47 H 5.2025 0.9397 -0.0538 H 1 UNL1111111111 0.1381 48 H 1.7156 -2.2899 -2.1976 H 1 UNL1111111111 0.1584 49 H 1.2732 -3.8907 -1.5863 H 1 UNL1111111111 0.1415 50 H 0.6845 4.6563 -0.7277 H 1 UNL1111111111 0.3189 51 H 3.7744 -1.3947 1.3871 H 1 UNL1111111111 0.1310 52 H 4.3509 -1.4502 -0.2869 H 1 UNL1111111111 0.1321 53 H -1.1818 -3.0158 -1.3717 H 1 UNL1111111111 0.1830 54 H -0.5747 -3.2707 -3.0104 H 1 UNL1111111111 0.1724 55 H 6.7189 -1.0363 0.5175 H 1 UNL1111111111 0.1422 56 H 6.1442 -0.9740 2.1868 H 1 UNL1111111111 0.1427 57 H 6.0343 -2.4805 1.2705 H 1 UNL1111111111 0.1381 58 H -2.2633 1.0179 -2.0258 H 1 UNL1111111111 0.1446 59 H -1.9576 0.6401 -3.7580 H 1 UNL1111111111 0.1467 60 H -3.5360 0.1827 -3.0059 H 1 UNL1111111111 0.1451 @BOND 1 1 8 1 2 1 36 1 3 2 10 2 4 3 15 1 5 3 50 1 6 4 25 1 7 4 26 1 8 5 25 2 9 6 7 1 10 6 8 1 11 6 11 1 12 6 27 1 13 7 10 1 14 7 12 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 13 1 22 11 32 1 23 11 33 1 24 12 14 2 25 12 34 1 26 13 17 2 27 13 35 1 28 14 15 1 29 14 37 1 30 15 16 1 31 15 38 1 32 16 18 1 33 16 39 1 34 16 40 1 35 17 19 1 36 17 41 1 37 18 20 1 38 18 42 1 39 18 43 1 40 19 21 1 41 19 44 1 42 19 45 1 43 20 22 1 44 20 46 1 45 20 47 1 46 21 23 1 47 21 48 1 48 21 49 1 49 22 24 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 26 58 1 59 26 59 1 60 26 60 1