@MOLECULE plakinic acid f 65 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1955 3.1522 0.2257 O.3 1 UNL1111111111 -0.1742 2 O 0.0529 2.9053 -0.4256 O.3 1 UNL1111111111 -0.1574 3 O 2.8540 1.1808 0.0149 O.3 1 UNL1111111111 -0.5721 4 O 2.2020 1.4144 2.1239 O.2 1 UNL1111111111 -0.5183 5 C -2.1815 2.3831 -0.4792 C.3 1 UNL1111111111 0.2163 6 C -1.4144 1.1586 -1.0266 C.3 1 UNL1111111111 -0.3743 7 C 0.0649 1.5136 -0.7466 C.3 1 UNL1111111111 0.2398 8 C -3.2080 2.0297 0.6065 C.3 1 UNL1111111111 -0.3134 9 C -4.3678 1.1983 0.0483 C.3 1 UNL1111111111 -0.2618 10 C -2.7638 3.2474 -1.5919 C.3 1 UNL1111111111 -0.4915 11 C 0.5735 0.7191 0.4682 C.3 1 UNL1111111111 -0.4067 12 C 0.9523 1.3947 -1.9760 C.3 1 UNL1111111111 -0.4738 13 C -5.0188 0.3262 1.1307 C.3 1 UNL1111111111 -0.2724 14 C -4.1246 -0.8389 1.5772 C.3 1 UNL1111111111 -0.2692 15 C 1.9037 1.1585 0.9862 C.2 1 UNL1111111111 0.6717 16 C -3.9556 -1.8907 0.4737 C.3 1 UNL1111111111 -0.2695 17 C -3.0726 -3.0458 0.9616 C.3 1 UNL1111111111 -0.2711 18 C -2.7667 -4.0413 -0.1657 C.3 1 UNL1111111111 -0.2701 19 C -1.6746 -3.5268 -1.1160 C.3 1 UNL1111111111 -0.2846 20 C -0.3487 -3.4067 -0.4413 C.2 1 UNL1111111111 -0.1156 21 C 0.6578 -2.6775 -0.9459 C.2 1 UNL1111111111 -0.2070 22 C 1.9406 -2.5641 -0.2718 C.2 1 UNL1111111111 -0.1741 23 C 2.9319 -1.7822 -0.7350 C.2 1 UNL1111111111 -0.1326 24 C 4.1913 -1.6183 -0.0266 C.2 1 UNL1111111111 -0.1822 25 C 5.0803 -0.6756 -0.3716 C.2 1 UNL1111111111 -0.1336 26 C 6.3510 -0.4411 0.3769 C.3 1 UNL1111111111 -0.2679 27 C 6.3232 0.9399 1.0387 C.3 1 UNL1111111111 -0.4355 28 H -1.6029 1.0048 -2.0996 H 1 UNL1111111111 0.1571 29 H -1.7209 0.2228 -0.5330 H 1 UNL1111111111 0.1606 30 H -2.6949 1.4889 1.4272 H 1 UNL1111111111 0.1585 31 H -3.5923 2.9575 1.0727 H 1 UNL1111111111 0.1521 32 H -5.1293 1.8703 -0.3927 H 1 UNL1111111111 0.1350 33 H -4.0244 0.5586 -0.7865 H 1 UNL1111111111 0.1382 34 H -3.5077 2.7101 -2.1857 H 1 UNL1111111111 0.1470 35 H -3.2443 4.1447 -1.1825 H 1 UNL1111111111 0.1580 36 H -1.9699 3.5957 -2.2662 H 1 UNL1111111111 0.1628 37 H 0.6277 -0.3660 0.2153 H 1 UNL1111111111 0.1950 38 H -0.1676 0.8132 1.2975 H 1 UNL1111111111 0.1914 39 H 1.9097 1.9206 -1.8295 H 1 UNL1111111111 0.1814 40 H 1.1914 0.3494 -2.1991 H 1 UNL1111111111 0.1582 41 H 0.4826 1.8424 -2.8592 H 1 UNL1111111111 0.1530 42 H -5.9823 -0.0684 0.7559 H 1 UNL1111111111 0.1341 43 H -5.2750 0.9519 2.0075 H 1 UNL1111111111 0.1388 44 H -3.1328 -0.4596 1.8900 H 1 UNL1111111111 0.1416 45 H -4.5612 -1.3112 2.4780 H 1 UNL1111111111 0.1336 46 H -4.9429 -2.2727 0.1567 H 1 UNL1111111111 0.1332 47 H -3.5087 -1.4284 -0.4265 H 1 UNL1111111111 0.1358 48 H -3.5747 -3.5710 1.7958 H 1 UNL1111111111 0.1328 49 H -2.1278 -2.6497 1.3818 H 1 UNL1111111111 0.1455 50 H -3.6882 -4.2576 -0.7382 H 1 UNL1111111111 0.1360 51 H -2.4557 -5.0111 0.2682 H 1 UNL1111111111 0.1366 52 H 3.7626 1.3790 0.3611 H 1 UNL1111111111 0.3556 53 H -1.9854 -2.5546 -1.5512 H 1 UNL1111111111 0.1497 54 H -1.5844 -4.2174 -1.9826 H 1 UNL1111111111 0.1492 55 H -0.2434 -3.9597 0.4914 H 1 UNL1111111111 0.1474 56 H 0.5530 -2.1377 -1.8870 H 1 UNL1111111111 0.1486 57 H 2.0587 -3.1414 0.6463 H 1 UNL1111111111 0.1504 58 H 2.8200 -1.2068 -1.6564 H 1 UNL1111111111 0.1507 59 H 4.3644 -2.2849 0.8190 H 1 UNL1111111111 0.1513 60 H 4.9143 -0.0114 -1.2199 H 1 UNL1111111111 0.1472 61 H 7.2166 -0.5148 -0.3145 H 1 UNL1111111111 0.1464 62 H 6.5235 -1.2214 1.1457 H 1 UNL1111111111 0.1456 63 H 6.1889 1.7405 0.3033 H 1 UNL1111111111 0.1419 64 H 5.5141 1.0120 1.7776 H 1 UNL1111111111 0.1530 65 H 7.2605 1.1413 1.5710 H 1 UNL1111111111 0.1479 @BOND 1 1 2 1 2 1 5 1 3 2 7 1 4 3 15 1 5 3 52 1 6 4 15 2 7 5 6 1 8 5 8 1 9 5 10 1 10 6 7 1 11 6 28 1 12 6 29 1 13 7 11 1 14 7 12 1 15 8 9 1 16 8 30 1 17 8 31 1 18 9 13 1 19 9 32 1 20 9 33 1 21 10 34 1 22 10 35 1 23 10 36 1 24 11 15 1 25 11 37 1 26 11 38 1 27 12 39 1 28 12 40 1 29 12 41 1 30 13 14 1 31 13 42 1 32 13 43 1 33 14 16 1 34 14 44 1 35 14 45 1 36 16 17 1 37 16 46 1 38 16 47 1 39 17 18 1 40 17 48 1 41 17 49 1 42 18 19 1 43 18 50 1 44 18 51 1 45 19 20 1 46 19 53 1 47 19 54 1 48 20 21 2 49 20 55 1 50 21 22 1 51 21 56 1 52 22 23 2 53 22 57 1 54 23 24 1 55 23 58 1 56 24 25 2 57 24 59 1 58 25 26 1 59 25 60 1 60 26 27 1 61 26 61 1 62 26 62 1 63 27 63 1 64 27 64 1 65 27 65 1