@MOLECULE ro64-6198 61 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3641 -3.5620 0.2828 O.2 1 UNL1111111111 -0.5055 2 N 0.5749 -1.3631 -0.6358 N.3 1 UNL1111111111 -0.4429 3 N -3.3871 -0.1701 -0.0219 N.pl3 1 UNL1111111111 -0.5043 4 N -4.1358 -2.2266 0.8100 N.am 1 UNL1111111111 -0.6370 5 C -2.2234 -1.1034 -0.0513 C.3 1 UNL1111111111 0.1795 6 C 1.9767 -1.8051 -0.8753 C.3 1 UNL1111111111 0.0546 7 C 2.4058 0.9516 -1.0359 C.3 1 UNL1111111111 -0.1032 8 C -1.6995 -1.1964 -1.4927 C.3 1 UNL1111111111 -0.2916 9 C -1.1424 -0.7719 0.9905 C.3 1 UNL1111111111 -0.3219 10 C -0.3918 -2.0050 -1.5582 C.3 1 UNL1111111111 -0.1051 11 C 0.1285 -1.6079 0.7572 C.3 1 UNL1111111111 -0.1067 12 C 2.4741 -1.3202 -2.2611 C.3 1 UNL1111111111 -0.2834 13 C 2.5408 0.2111 -2.3856 C.3 1 UNL1111111111 -0.2615 14 C 3.1157 0.2121 0.0584 C.ar 1 UNL1111111111 -0.0037 15 C 2.8941 -1.1686 0.1452 C.ar 1 UNL1111111111 -0.0471 16 C 2.8922 2.4010 -1.1903 C.3 1 UNL1111111111 -0.2844 17 C -2.8563 -2.4635 0.3397 C.2 1 UNL1111111111 0.5560 18 C 3.9306 0.8418 1.0010 C.ar 1 UNL1111111111 -0.0042 19 C 3.0501 3.0448 0.1892 C.3 1 UNL1111111111 -0.2577 20 C -4.5200 -0.8121 0.7016 C.3 1 UNL1111111111 0.1194 21 C 4.1587 2.3221 0.9663 C.3 1 UNL1111111111 -0.2804 22 C 3.5184 -1.9272 1.1298 C.ar 1 UNL1111111111 -0.1869 23 C -3.2404 1.2204 0.0784 C.ar 1 UNL1111111111 0.2575 24 C 4.5530 0.0770 1.9919 C.ar 1 UNL1111111111 -0.1865 25 C 4.3548 -1.2990 2.0513 C.ar 1 UNL1111111111 -0.1475 26 C -4.2985 2.0111 0.5698 C.ar 1 UNL1111111111 -0.2953 27 C -2.0900 1.8648 -0.4209 C.ar 1 UNL1111111111 -0.2718 28 C -4.1933 3.3984 0.5656 C.ar 1 UNL1111111111 -0.0728 29 C -2.0029 3.2498 -0.4130 C.ar 1 UNL1111111111 -0.0693 30 C -3.0494 4.0267 0.0823 C.ar 1 UNL1111111111 -0.2368 31 H 2.0576 -2.9228 -0.8329 H 1 UNL1111111111 0.1199 32 H 1.3126 0.9645 -0.7584 H 1 UNL1111111111 0.1800 33 H -1.5230 -0.1799 -1.9004 H 1 UNL1111111111 0.1679 34 H -2.4642 -1.6498 -2.1507 H 1 UNL1111111111 0.1513 35 H -1.5228 -0.9389 2.0149 H 1 UNL1111111111 0.1503 36 H -0.8699 0.3023 0.9441 H 1 UNL1111111111 0.1738 37 H -0.5846 -3.0729 -1.3083 H 1 UNL1111111111 0.1401 38 H 0.0009 -1.9776 -2.5960 H 1 UNL1111111111 0.1373 39 H 0.9148 -1.2770 1.4708 H 1 UNL1111111111 0.1526 40 H -0.0696 -2.6832 0.9645 H 1 UNL1111111111 0.1383 41 H 1.8414 -1.7355 -3.0649 H 1 UNL1111111111 0.1385 42 H 3.4839 -1.7470 -2.4223 H 1 UNL1111111111 0.1389 43 H 3.4955 0.4909 -2.8682 H 1 UNL1111111111 0.1306 44 H 1.7374 0.5660 -3.0579 H 1 UNL1111111111 0.1380 45 H 2.1782 2.9731 -1.8097 H 1 UNL1111111111 0.1356 46 H 3.8575 2.4295 -1.7294 H 1 UNL1111111111 0.1378 47 H 2.0966 2.9855 0.7489 H 1 UNL1111111111 0.1463 48 H 3.2872 4.1187 0.0930 H 1 UNL1111111111 0.1301 49 H -5.4475 -0.6895 0.0896 H 1 UNL1111111111 0.1474 50 H -4.6743 -0.3835 1.7235 H 1 UNL1111111111 0.1367 51 H 4.2254 2.7316 1.9939 H 1 UNL1111111111 0.1446 52 H 5.1444 2.5274 0.4967 H 1 UNL1111111111 0.1496 53 H -4.8005 -2.9339 1.0464 H 1 UNL1111111111 0.3318 54 H 3.3554 -3.0006 1.1861 H 1 UNL1111111111 0.1533 55 H 5.1966 0.5612 2.7228 H 1 UNL1111111111 0.1491 56 H 4.8493 -1.8860 2.8220 H 1 UNL1111111111 0.1491 57 H -5.2103 1.5624 0.9462 H 1 UNL1111111111 0.1514 58 H -1.2580 1.2846 -0.8237 H 1 UNL1111111111 0.1809 59 H -5.0192 3.9978 0.9478 H 1 UNL1111111111 0.1426 60 H -1.1051 3.7335 -0.7985 H 1 UNL1111111111 0.1476 61 H -2.9743 5.1090 0.0884 H 1 UNL1111111111 0.1493 @BOND 1 1 17 2 2 2 6 1 3 2 10 1 4 2 11 1 5 3 5 1 6 3 20 1 7 3 23 1 8 4 17 am 9 4 20 1 10 4 53 1 11 5 8 1 12 5 9 1 13 5 17 1 14 6 12 1 15 6 15 1 16 6 31 1 17 7 13 1 18 7 14 1 19 7 16 1 20 7 32 1 21 8 10 1 22 8 33 1 23 8 34 1 24 9 11 1 25 9 35 1 26 9 36 1 27 10 37 1 28 10 38 1 29 11 39 1 30 11 40 1 31 12 13 1 32 12 41 1 33 12 42 1 34 13 43 1 35 13 44 1 36 14 15 ar 37 14 18 ar 38 15 22 ar 39 16 19 1 40 16 45 1 41 16 46 1 42 18 21 1 43 18 24 ar 44 19 21 1 45 19 47 1 46 19 48 1 47 20 49 1 48 20 50 1 49 21 51 1 50 21 52 1 51 22 25 ar 52 22 54 1 53 23 26 ar 54 23 27 ar 55 24 25 ar 56 24 55 1 57 25 56 1 58 26 28 ar 59 26 57 1 60 27 29 ar 61 27 58 1 62 28 30 ar 63 28 59 1 64 29 30 ar 65 29 60 1 66 30 61 1