@MOLECULE plakortide g 63 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8640 1.6220 -0.0459 O.3 1 UNL1111111111 -0.1707 2 O 2.0027 0.6324 -1.0556 O.3 1 UNL1111111111 -0.1523 3 O 5.7267 -0.0136 -0.0318 O.3 1 UNL1111111111 -0.4099 4 O 4.7991 -1.3709 -1.5652 O.2 1 UNL1111111111 -0.5141 5 C 0.6186 1.4509 0.6358 C.3 1 UNL1111111111 0.1883 6 C 0.9560 -1.0293 0.3278 C.3 1 UNL1111111111 -0.1361 7 C 0.6455 0.0788 1.3402 C.3 1 UNL1111111111 -0.3362 8 C -0.5265 1.5955 -0.3751 C.3 1 UNL1111111111 -0.3189 9 C 2.2183 -0.6382 -0.4688 C.3 1 UNL1111111111 0.0283 10 C 0.6651 2.5803 1.6870 C.3 1 UNL1111111111 -0.2877 11 C 1.0998 -2.4002 1.0024 C.3 1 UNL1111111111 -0.2581 12 C -1.9035 1.3221 0.2301 C.3 1 UNL1111111111 -0.2729 13 C 3.5095 -0.6280 0.3563 C.3 1 UNL1111111111 -0.3950 14 C -3.0073 1.5526 -0.8106 C.3 1 UNL1111111111 -0.2763 15 C 0.7673 3.9695 1.0626 C.3 1 UNL1111111111 -0.4330 16 C -4.3342 0.9103 -0.3522 C.3 1 UNL1111111111 -0.1162 17 C -0.2609 -2.9618 1.4150 C.3 1 UNL1111111111 -0.4407 18 C -5.4843 1.3675 -1.2719 C.3 1 UNL1111111111 -0.2618 19 C 4.6978 -0.7356 -0.5479 C.2 1 UNL1111111111 0.6145 20 C -4.1942 -0.5831 -0.4068 C.2 1 UNL1111111111 -0.1578 21 C -6.8313 0.8445 -0.7741 C.3 1 UNL1111111111 -0.4390 22 C -4.1369 -1.3458 0.6878 C.2 1 UNL1111111111 -0.1836 23 C -3.9768 -2.8326 0.6885 C.3 1 UNL1111111111 -0.2569 24 C 6.9291 -0.0057 -0.7939 C.3 1 UNL1111111111 -0.1701 25 C -3.5241 -3.4183 -0.6501 C.3 1 UNL1111111111 -0.4343 26 H 0.1088 -1.0868 -0.4051 H 1 UNL1111111111 0.1551 27 H -0.3179 -0.1150 1.8436 H 1 UNL1111111111 0.1499 28 H 1.4061 0.0839 2.1429 H 1 UNL1111111111 0.1470 29 H -0.3450 0.9093 -1.2283 H 1 UNL1111111111 0.1590 30 H -0.4946 2.6093 -0.8198 H 1 UNL1111111111 0.1540 31 H 2.3276 -1.2798 -1.3810 H 1 UNL1111111111 0.1702 32 H -0.2362 2.5131 2.3247 H 1 UNL1111111111 0.1450 33 H 1.5319 2.4168 2.3584 H 1 UNL1111111111 0.1453 34 H 1.5963 -3.1081 0.3090 H 1 UNL1111111111 0.1421 35 H 1.7569 -2.3313 1.8898 H 1 UNL1111111111 0.1350 36 H -1.9541 0.2773 0.5981 H 1 UNL1111111111 0.1462 37 H -2.0755 1.9656 1.1120 H 1 UNL1111111111 0.1353 38 H 3.5347 -1.4608 1.0882 H 1 UNL1111111111 0.1808 39 H 3.5558 0.3068 0.9637 H 1 UNL1111111111 0.2013 40 H -2.7075 1.1319 -1.7887 H 1 UNL1111111111 0.1426 41 H -3.1472 2.6361 -0.9764 H 1 UNL1111111111 0.1374 42 H 0.9555 4.7330 1.8257 H 1 UNL1111111111 0.1403 43 H 1.5881 4.0221 0.3347 H 1 UNL1111111111 0.1587 44 H -0.1537 4.2494 0.5386 H 1 UNL1111111111 0.1451 45 H -4.5578 1.2494 0.6879 H 1 UNL1111111111 0.1395 46 H -0.9300 -3.0722 0.5525 H 1 UNL1111111111 0.1489 47 H -0.1587 -3.9491 1.8782 H 1 UNL1111111111 0.1399 48 H -0.7653 -2.3106 2.1373 H 1 UNL1111111111 0.1422 49 H -5.3022 1.0227 -2.3068 H 1 UNL1111111111 0.1365 50 H -5.5063 2.4727 -1.3197 H 1 UNL1111111111 0.1353 51 H -4.1267 -0.9946 -1.4112 H 1 UNL1111111111 0.1469 52 H -7.6457 1.1427 -1.4428 H 1 UNL1111111111 0.1402 53 H -6.8348 -0.2508 -0.7143 H 1 UNL1111111111 0.1482 54 H -7.0656 1.2255 0.2257 H 1 UNL1111111111 0.1418 55 H -4.2159 -0.9122 1.6848 H 1 UNL1111111111 0.1387 56 H -4.9412 -3.2976 0.9893 H 1 UNL1111111111 0.1460 57 H -3.2517 -3.1234 1.4791 H 1 UNL1111111111 0.1402 58 H 7.3177 -1.0234 -0.9019 H 1 UNL1111111111 0.1377 59 H 6.7458 0.4391 -1.7782 H 1 UNL1111111111 0.1420 60 H 7.5993 0.6184 -0.1922 H 1 UNL1111111111 0.1441 61 H -3.3190 -4.4908 -0.5641 H 1 UNL1111111111 0.1398 62 H -2.6101 -2.9313 -1.0111 H 1 UNL1111111111 0.1473 63 H -4.2920 -3.2926 -1.4222 H 1 UNL1111111111 0.1450 @BOND 1 1 2 1 2 1 5 1 3 2 9 1 4 3 19 1 5 3 24 1 6 4 19 2 7 5 7 1 8 5 8 1 9 5 10 1 10 6 7 1 11 6 9 1 12 6 11 1 13 6 26 1 14 7 27 1 15 7 28 1 16 8 12 1 17 8 29 1 18 8 30 1 19 9 13 1 20 9 31 1 21 10 15 1 22 10 32 1 23 10 33 1 24 11 17 1 25 11 34 1 26 11 35 1 27 12 14 1 28 12 36 1 29 12 37 1 30 13 19 1 31 13 38 1 32 13 39 1 33 14 16 1 34 14 40 1 35 14 41 1 36 15 42 1 37 15 43 1 38 15 44 1 39 16 18 1 40 16 20 1 41 16 45 1 42 17 46 1 43 17 47 1 44 17 48 1 45 18 21 1 46 18 49 1 47 18 50 1 48 20 22 2 49 20 51 1 50 21 52 1 51 21 53 1 52 21 54 1 53 22 23 1 54 22 55 1 55 23 25 1 56 23 56 1 57 23 57 1 58 24 58 1 59 24 59 1 60 24 60 1 61 25 61 1 62 25 62 1 63 25 63 1