@MOLECULE harringtonine 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5206 1.0364 0.8133 O.3 1 UNL11 -0.3960 2 O 2.5274 3.0445 1.0867 O.2 1 UNL11 -0.2809 3 O -1.1139 -4.1872 0.5933 O.3 1 UNL11 -0.3538 4 O -1.7470 -3.5519 -1.5860 O.3 1 UNL11 -0.3496 5 O -0.2562 2.2416 2.5619 O.2 1 UNL11 -0.4907 6 O -2.5780 2.7480 1.2315 O.3 1 UNL11 -0.5295 7 O -3.8693 -1.5832 0.0496 O.3 1 UNL11 -0.5884 8 O -2.6795 1.8856 -2.2313 O.3 1 UNL11 -0.4045 9 O -2.7796 4.1080 -1.8877 O.2 1 UNL11 -0.4980 10 N 3.6456 -1.0529 -1.0441 N.3 1 UNL11 -0.4529 11 C 3.6305 -0.3758 0.2639 C.3 1 UNL11 0.2443 12 C 2.2575 -0.6080 1.0168 C.3 1 UNL11 -0.1663 13 C 4.8127 -1.0200 1.0391 C.3 1 UNL11 -0.2964 14 C 1.7674 0.8056 1.4554 C.3 1 UNL11 0.0980 15 C 5.0380 -1.4780 -1.3480 C.3 1 UNL11 -0.1018 16 C 5.8509 -1.3512 -0.0420 C.3 1 UNL11 -0.2845 17 C 3.8022 1.1292 0.2333 C.2 1 UNL11 -0.3986 18 C 1.2183 -1.3446 0.2249 C.ar 1 UNL11 0.0303 19 C 3.0225 -0.3215 -2.1624 C.3 1 UNL11 -0.0860 20 C 2.7980 1.7474 0.8670 C.2 1 UNL11 0.1636 21 C 1.5776 0.0990 -1.8175 C.3 1 UNL11 -0.2888 22 C 0.8698 -0.9988 -1.0866 C.ar 1 UNL11 0.0521 23 C 0.5925 -2.4276 0.8830 C.ar 1 UNL11 -0.2035 24 C -0.1411 -1.6907 -1.7871 C.ar 1 UNL11 -0.2074 25 C -0.3693 -3.1066 0.1791 C.ar 1 UNL11 0.1123 26 C -0.7383 -2.7361 -1.1300 C.ar 1 UNL11 0.1131 27 C -0.3983 1.7902 1.4583 C.2 1 UNL11 0.5345 28 C -1.6210 1.9857 0.5465 C.3 1 UNL11 0.2680 29 C 3.4437 3.9666 0.5006 C.3 1 UNL11 -0.2071 30 C -2.3040 0.6530 0.2303 C.3 1 UNL11 -0.2787 31 C -1.9600 -4.5162 -0.5310 C.3 1 UNL11 0.1539 32 C -1.1468 2.7529 -0.7028 C.3 1 UNL11 -0.4147 33 C -2.4251 -0.2378 1.4668 C.3 1 UNL11 -0.3532 34 C -3.6696 -1.1474 1.3830 C.3 1 UNL11 0.3640 35 C -2.2884 3.0415 -1.6345 C.2 1 UNL11 0.6223 36 C -3.4937 -2.3759 2.2848 C.3 1 UNL11 -0.5223 37 C -4.9592 -0.3912 1.7121 C.3 1 UNL11 -0.4740 38 C -3.8115 1.9670 -3.0892 C.3 1 UNL11 -0.1714 39 H 2.4848 -1.1879 1.9454 H 1 UNL11 0.1571 40 H 4.4859 -1.9425 1.5507 H 1 UNL11 0.1528 41 H 5.2096 -0.3442 1.8096 H 1 UNL11 0.1456 42 H 1.6658 0.9100 2.5568 H 1 UNL11 0.1685 43 H 5.5043 -0.8965 -2.1649 H 1 UNL11 0.1147 44 H 4.9759 -2.5357 -1.6844 H 1 UNL11 0.1463 45 H 6.6092 -0.5561 -0.1225 H 1 UNL11 0.1360 46 H 6.3933 -2.2811 0.1879 H 1 UNL11 0.1428 47 H 4.6535 1.5535 -0.2532 H 1 UNL11 0.1659 48 H 3.0026 -1.0251 -3.0275 H 1 UNL11 0.1419 49 H 3.6030 0.5737 -2.4728 H 1 UNL11 0.1094 50 H 1.0512 0.3712 -2.7544 H 1 UNL11 0.1479 51 H 1.5914 1.0268 -1.2087 H 1 UNL11 0.1665 52 H 0.8682 -2.7168 1.8919 H 1 UNL11 0.1731 53 H -0.4211 -1.4146 -2.7986 H 1 UNL11 0.1766 54 H 3.0226 4.9362 0.7977 H 1 UNL11 0.1566 55 H 3.4552 3.8621 -0.5884 H 1 UNL11 0.1352 56 H 4.4456 3.8358 0.9199 H 1 UNL11 0.1350 57 H -3.3174 0.8583 -0.1900 H 1 UNL11 0.1917 58 H -1.7608 0.1251 -0.5798 H 1 UNL11 0.1689 59 H -1.6545 -5.5026 -0.9059 H 1 UNL11 0.1412 60 H -3.0059 -4.4233 -0.2027 H 1 UNL11 0.1464 61 H -0.6692 3.7135 -0.4115 H 1 UNL11 0.1850 62 H -0.3636 2.1617 -1.2310 H 1 UNL11 0.1976 63 H -2.5003 0.3770 2.3861 H 1 UNL11 0.1659 64 H -1.5081 -0.8476 1.5814 H 1 UNL11 0.1521 65 H -2.1646 3.4300 1.8092 H 1 UNL11 0.3352 66 H -4.3677 -3.0329 2.2169 H 1 UNL11 0.1565 67 H -3.3694 -2.0889 3.3327 H 1 UNL11 0.1532 68 H -2.6175 -2.9680 1.9964 H 1 UNL11 0.1593 69 H -5.8367 -0.9964 1.4542 H 1 UNL11 0.1563 70 H -5.0134 -0.1329 2.7725 H 1 UNL11 0.1485 71 H -5.0300 0.5391 1.1334 H 1 UNL11 0.1637 72 H -3.0758 -2.0153 -0.3136 H 1 UNL11 0.3220 73 H -3.9507 0.9263 -3.4077 H 1 UNL11 0.1510 74 H -3.5983 2.6245 -3.9370 H 1 UNL11 0.1344 75 H -4.6825 2.3301 -2.5328 H 1 UNL11 0.1412 @BOND 1 1 14 1 2 1 27 1 3 2 20 1 4 2 29 1 5 3 25 1 6 3 31 1 7 4 26 1 8 4 31 1 9 5 27 2 10 6 65 1 11 7 34 1 12 7 72 1 13 8 35 1 14 8 38 1 15 9 35 2 16 10 11 1 17 10 15 1 18 10 19 1 19 11 12 1 20 11 13 1 21 11 17 1 22 12 14 1 23 12 18 1 24 12 39 1 25 13 16 1 26 13 40 1 27 13 41 1 28 14 20 1 29 14 42 1 30 15 16 1 31 15 43 1 32 15 44 1 33 16 45 1 34 16 46 1 35 17 20 2 36 17 47 1 37 18 22 ar 38 18 23 ar 39 19 21 1 40 19 48 1 41 19 49 1 42 21 22 1 43 21 50 1 44 21 51 1 45 22 24 ar 46 23 25 ar 47 23 52 1 48 24 26 ar 49 24 53 1 50 25 26 ar 51 27 28 1 52 28 6 1 53 28 30 1 54 28 32 1 55 29 54 1 56 29 55 1 57 29 56 1 58 30 33 1 59 30 57 1 60 30 58 1 61 31 59 1 62 31 60 1 63 32 35 1 64 32 61 1 65 32 62 1 66 33 34 1 67 33 63 1 68 33 64 1 69 34 36 1 70 34 37 1 71 36 66 1 72 36 67 1 73 36 68 1 74 37 69 1 75 37 70 1 76 37 71 1 77 38 73 1 78 38 74 1 79 38 75 1