@MOLECULE (5z,9alpha,11alpha,13e,15s,19r)-9,11,15,19-tetrahydroxyprosta-5,13-dien-1-oic acid 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3936 1.2109 -1.0205 O.3 1 UNL1111 -0.5644 2 O -4.3990 -1.8034 -0.5942 O.3 1 UNL1111 -0.5872 3 O 0.6920 -4.6374 0.2088 O.3 1 UNL1111 -0.5575 4 O 3.0967 1.3078 -1.0668 O.3 1 UNL1111 -0.5831 5 O 2.2125 0.0644 2.7315 O.3 1 UNL1111 -0.5808 6 O 0.0601 0.5197 2.4312 O.2 1 UNL1111 -0.5321 7 C -2.1290 0.6073 -0.3248 C.3 1 UNL1111 -0.1690 8 C -2.2316 -0.9360 -0.4002 C.3 1 UNL1111 -0.1639 9 C -3.5430 1.0850 0.0919 C.3 1 UNL1111 0.1725 10 C -3.5062 -1.3225 0.4010 C.3 1 UNL1111 0.1685 11 C -4.0609 -0.0307 1.0203 C.3 1 UNL1111 -0.4083 12 C -1.6676 1.2243 -1.6479 C.3 1 UNL1111 -0.2744 13 C -1.0337 -1.5957 0.1965 C.2 1 UNL1111 -0.1417 14 C -1.5695 2.7118 -1.5195 C.2 1 UNL1111 -0.1443 15 C -0.3726 -2.5824 -0.4117 C.2 1 UNL1111 -0.2373 16 C 0.8354 -3.2299 0.1967 C.3 1 UNL1111 0.1618 17 C -0.5602 3.3727 -0.9455 C.2 1 UNL1111 -0.1839 18 C 2.1115 -2.8670 -0.5865 C.3 1 UNL1111 -0.3329 19 C 2.5123 -1.4143 -0.3272 C.3 1 UNL1111 -0.2586 20 C 0.6416 2.7371 -0.3291 C.3 1 UNL1111 -0.2763 21 C 3.7279 -1.0245 -1.1734 C.3 1 UNL1111 -0.3346 22 C 0.6782 3.0338 1.1790 C.3 1 UNL1111 -0.2427 23 C 4.1654 0.4091 -0.8433 C.3 1 UNL1111 0.1872 24 C 1.7546 2.1948 1.8747 C.3 1 UNL1111 -0.3570 25 C 5.3747 0.8362 -1.6747 C.3 1 UNL1111 -0.5095 26 C 1.2012 0.8926 2.3423 C.2 1 UNL1111 0.6686 27 H -1.4118 0.9003 0.4831 H 1 UNL1111 0.1685 28 H -2.3816 -1.2572 -1.4617 H 1 UNL1111 0.1709 29 H -3.5523 2.0974 0.5355 H 1 UNL1111 0.1380 30 H -3.3360 -2.1306 1.1368 H 1 UNL1111 0.1234 31 H -5.1606 -0.0272 1.0693 H 1 UNL1111 0.1615 32 H -3.6951 0.1102 2.0500 H 1 UNL1111 0.1614 33 H -2.3783 0.9585 -2.4589 H 1 UNL1111 0.1534 34 H -0.6947 0.7847 -1.9471 H 1 UNL1111 0.1420 35 H -0.7371 -1.2110 1.1758 H 1 UNL1111 0.1667 36 H -4.5485 0.3254 -1.4230 H 1 UNL1111 0.3337 37 H -5.2471 -2.0808 -0.2043 H 1 UNL1111 0.3190 38 H -2.4277 3.2479 -1.9299 H 1 UNL1111 0.1501 39 H -0.6726 -2.9791 -1.3783 H 1 UNL1111 0.1522 40 H 0.9488 -3.0106 1.2838 H 1 UNL1111 0.1405 41 H 1.9614 -3.0431 -1.6662 H 1 UNL1111 0.1422 42 H 2.9248 -3.5534 -0.2800 H 1 UNL1111 0.1524 43 H -0.5678 4.4609 -0.8896 H 1 UNL1111 0.1378 44 H 1.6644 -0.7351 -0.5531 H 1 UNL1111 0.1539 45 H 2.7360 -1.2628 0.7471 H 1 UNL1111 0.1443 46 H 1.5665 3.1185 -0.8120 H 1 UNL1111 0.1518 47 H 0.6629 1.6406 -0.4965 H 1 UNL1111 0.1559 48 H 4.5656 -1.7220 -0.9879 H 1 UNL1111 0.1474 49 H 3.4903 -1.1174 -2.2487 H 1 UNL1111 0.1428 50 H 0.4346 -4.9783 -0.6678 H 1 UNL1111 0.3124 51 H -0.3190 2.8358 1.6255 H 1 UNL1111 0.1616 52 H 0.8712 4.1102 1.3443 H 1 UNL1111 0.1386 53 H 4.3503 0.5424 0.2481 H 1 UNL1111 0.1397 54 H 2.1919 2.7398 2.7383 H 1 UNL1111 0.1751 55 H 2.6171 2.0189 1.1836 H 1 UNL1111 0.2051 56 H 5.2114 0.6847 -2.7465 H 1 UNL1111 0.1500 57 H 5.5862 1.9033 -1.5254 H 1 UNL1111 0.1617 58 H 6.2731 0.2779 -1.3922 H 1 UNL1111 0.1533 59 H 2.7821 1.2682 -1.9891 H 1 UNL1111 0.3201 60 H 1.9032 -0.8095 3.0690 H 1 UNL1111 0.3538 @BOND 1 1 9 1 2 1 36 1 3 2 10 1 4 2 37 1 5 3 16 1 6 3 50 1 7 4 23 1 8 4 59 1 9 5 26 1 10 5 60 1 11 6 26 2 12 7 8 1 13 7 9 1 14 7 12 1 15 7 27 1 16 8 10 1 17 8 13 1 18 8 28 1 19 9 11 1 20 9 29 1 21 10 11 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 14 1 26 12 33 1 27 12 34 1 28 13 15 2 29 13 35 1 30 14 17 2 31 14 38 1 32 15 16 1 33 15 39 1 34 16 18 1 35 16 40 1 36 17 20 1 37 17 43 1 38 18 19 1 39 18 41 1 40 18 42 1 41 19 21 1 42 19 44 1 43 19 45 1 44 20 22 1 45 20 46 1 46 20 47 1 47 21 23 1 48 21 48 1 49 21 49 1 50 22 24 1 51 22 51 1 52 22 52 1 53 23 25 1 54 23 53 1 55 24 26 1 56 24 54 1 57 24 55 1 58 25 56 1 59 25 57 1 60 25 58 1