@MOLECULE cytochalasin 68 71 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.4237 -1.1119 1.8481 O.3 1 UNL111111 -0.4305 2 O -0.4647 -2.1151 -2.9769 O.3 1 UNL111111 -0.5311 3 O -0.2603 2.1758 -0.7673 O.2 1 UNL111111 -0.5115 4 O 0.0037 -1.1013 3.6322 O.2 1 UNL111111 -0.5149 5 N 1.7801 1.2156 -0.5593 N.am 1 UNL111111 -0.6175 6 C -0.0631 -0.1006 0.1809 C.3 1 UNL111111 -0.0930 7 C 1.2621 -0.8016 0.6283 C.3 1 UNL111111 -0.1757 8 C -0.8105 -0.9438 -0.8720 C.3 1 UNL111111 -0.1733 9 C 2.4253 0.0165 -0.0165 C.3 1 UNL111111 0.0965 10 C 1.3111 -2.2882 0.2293 C.3 1 UNL111111 -0.1050 11 C -0.9587 0.1721 1.4183 C.3 1 UNL111111 0.1314 12 C 0.2017 -1.4874 -1.9086 C.3 1 UNL111111 0.1296 13 C 0.4066 1.2285 -0.4244 C.2 1 UNL111111 0.5797 14 C 1.1708 -2.4472 -1.2576 C.2 1 UNL111111 -0.0615 15 C 3.5079 0.4001 1.0180 C.3 1 UNL111111 -0.3341 16 C 2.5754 -2.9466 0.7901 C.3 1 UNL111111 -0.4489 17 C -1.8881 -0.1850 -1.5853 C.2 1 UNL111111 -0.1579 18 C -2.1734 0.9888 1.1211 C.2 1 UNL111111 -0.2213 19 C 1.8060 -3.3583 -1.9934 C.2 1 UNL111111 -0.3203 20 C 4.6555 1.0709 0.3415 C.ar 1 UNL111111 0.0504 21 C -3.1497 -0.6238 -1.6063 C.2 1 UNL111111 -0.1461 22 C -3.4235 0.6282 1.4192 C.2 1 UNL111111 -0.1243 23 C -4.2664 0.1157 -2.2664 C.3 1 UNL111111 -0.2908 24 C -4.6110 1.4995 1.1110 C.3 1 UNL111111 -0.0956 25 C -5.2733 0.5985 -1.1963 C.3 1 UNL111111 -0.0694 26 C -4.7055 1.7928 -0.4011 C.3 1 UNL111111 -0.2939 27 C -0.8663 -1.6602 2.9694 C.2 1 UNL111111 0.2280 28 C 5.5876 0.2691 -0.3838 C.ar 1 UNL111111 -0.1926 29 C 4.7591 2.4922 0.4340 C.ar 1 UNL111111 -0.1955 30 C -4.4998 2.8147 1.8981 C.3 1 UNL111111 -0.4434 31 C -6.5952 0.9852 -1.8718 C.3 1 UNL111111 -0.4599 32 C -1.4063 -2.9400 3.2524 C.3 1 UNL111111 0.3695 33 C 6.5935 0.9828 -0.9733 C.ar 1 UNL111111 0.0193 34 C 5.8355 3.0170 -0.2295 C.ar 1 UNL111111 0.0202 35 C 6.6717 2.2725 -0.8811 C.ar 1 UNL111111 -0.0620 36 H 1.3441 -0.7422 1.7421 H 1 UNL111111 0.1762 37 H -1.2730 -1.8171 -0.3382 H 1 UNL111111 0.1605 38 H 2.8973 -0.5607 -0.8551 H 1 UNL111111 0.1563 39 H 0.4257 -2.7960 0.7046 H 1 UNL111111 0.1498 40 H -0.3644 0.6579 2.2354 H 1 UNL111111 0.1626 41 H 0.7421 -0.6580 -2.4295 H 1 UNL111111 0.1666 42 H 2.3197 1.9835 -0.9095 H 1 UNL111111 0.3307 43 H 3.8419 -0.5099 1.5598 H 1 UNL111111 0.1708 44 H 3.0656 1.0477 1.8064 H 1 UNL111111 0.1765 45 H 2.5398 -4.0362 0.6720 H 1 UNL111111 0.1480 46 H 3.4783 -2.5936 0.2800 H 1 UNL111111 0.1498 47 H 2.6904 -2.7455 1.8622 H 1 UNL111111 0.1487 48 H -1.5770 0.7338 -2.0818 H 1 UNL111111 0.1736 49 H -1.9551 1.9418 0.6254 H 1 UNL111111 0.1914 50 H 1.6580 -3.4468 -3.0629 H 1 UNL111111 0.1635 51 H 2.5066 -4.0788 -1.6085 H 1 UNL111111 0.1425 52 H -1.1068 -2.7779 -2.6553 H 1 UNL111111 0.3119 53 H -3.4509 -1.5421 -1.1057 H 1 UNL111111 0.1335 54 H -3.6566 -0.3193 1.8976 H 1 UNL111111 0.1404 55 H -3.9000 0.9762 -2.8592 H 1 UNL111111 0.1511 56 H -4.7764 -0.5465 -2.9950 H 1 UNL111111 0.1439 57 H -5.5471 0.9804 1.4319 H 1 UNL111111 0.1307 58 H -5.4720 -0.2496 -0.4982 H 1 UNL111111 0.1311 59 H -5.3279 2.6912 -0.5625 H 1 UNL111111 0.1390 60 H -3.7028 2.0673 -0.7861 H 1 UNL111111 0.1619 61 H 5.4840 -0.8070 -0.4466 H 1 UNL111111 0.1816 62 H 4.0478 3.0844 1.0011 H 1 UNL111111 0.1880 63 H -3.6482 3.4144 1.5553 H 1 UNL111111 0.1533 64 H -5.4042 3.4206 1.7866 H 1 UNL111111 0.1395 65 H -4.3567 2.6220 2.9670 H 1 UNL111111 0.1446 66 H -6.4507 1.7865 -2.6063 H 1 UNL111111 0.1458 67 H -7.0430 0.1353 -2.3941 H 1 UNL111111 0.1398 68 H -7.3255 1.3395 -1.1362 H 1 UNL111111 0.1419 @BOND 1 4 27 2 2 32 27 1 3 27 1 1 4 65 30 1 5 40 11 1 6 30 64 1 7 30 63 1 8 30 24 1 9 54 22 1 10 47 16 1 11 1 11 1 12 44 15 1 13 36 7 1 14 43 15 1 15 57 24 1 16 22 18 2 17 22 24 1 18 11 18 1 19 11 6 1 20 18 49 1 21 24 26 1 22 15 20 1 23 15 9 1 24 62 29 1 25 16 45 1 26 16 46 1 27 16 10 1 28 39 10 1 29 7 10 1 30 7 6 1 31 7 9 1 32 29 20 ar 33 29 34 ar 34 20 28 ar 35 10 14 1 36 6 13 1 37 6 8 1 38 9 5 1 39 9 38 1 40 34 35 ar 41 37 8 1 42 28 61 1 43 28 33 ar 44 26 59 1 45 26 60 1 46 26 25 1 47 13 5 am 48 13 3 2 49 58 25 1 50 5 42 1 51 35 33 ar 52 8 17 1 53 8 12 1 54 53 21 1 55 68 31 1 56 25 31 1 57 25 23 1 58 14 12 1 59 14 19 2 60 17 21 2 61 17 48 1 62 21 23 1 63 51 19 1 64 31 67 1 65 31 66 1 66 12 41 1 67 12 2 1 68 19 50 1 69 23 55 1 70 23 56 1 71 52 2 1