@MOLECULE dibekacin 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9390 -0.8874 -0.5915 O.3 1 UNL1111111111 -0.4600 2 O 1.2770 0.0710 0.7723 O.3 1 UNL1111111111 -0.4813 3 O 0.3920 -3.2345 1.7331 O.3 1 UNL1111111111 -0.5413 4 O -3.2366 -0.9567 -0.5569 O.3 1 UNL1111111111 -0.4396 5 O 3.1503 1.3476 1.1882 O.3 1 UNL1111111111 -0.4580 6 O -0.7579 0.6759 -2.6625 O.3 1 UNL1111111111 -0.5471 7 O -3.4482 2.3909 0.8536 O.3 1 UNL1111111111 -0.5633 8 O -4.2133 -1.3667 2.2301 O.3 1 UNL1111111111 -0.5427 9 N 0.7517 -4.1332 -1.0734 N.3 1 UNL1111111111 -0.6783 10 N 3.2608 -2.8987 0.1678 N.3 1 UNL1111111111 -0.6407 11 N -2.7610 2.8432 -2.0071 N.3 1 UNL1111111111 -0.6530 12 N -0.5035 1.7520 1.8223 N.3 1 UNL1111111111 -0.6669 13 N 5.3317 0.8198 -0.7025 N.3 1 UNL1111111111 -0.6412 14 C -0.5015 -2.1868 -0.2271 C.3 1 UNL1111111111 0.0532 15 C 1.6137 -1.2917 0.9835 C.3 1 UNL1111111111 0.0722 16 C 0.2411 -1.9875 1.1097 C.3 1 UNL1111111111 0.1085 17 C 0.4003 -2.7196 -1.3690 C.3 1 UNL1111111111 0.0159 18 C 2.4897 -1.7002 -0.2204 C.3 1 UNL1111111111 0.0219 19 C 1.6640 -1.8584 -1.5121 C.3 1 UNL1111111111 -0.3309 20 C -2.1110 -0.8434 -1.3761 C.3 1 UNL1111111111 0.2563 21 C 1.8725 1.0135 1.6293 C.3 1 UNL1111111111 0.2795 22 C -2.0407 0.5212 -2.1035 C.3 1 UNL1111111111 0.0841 23 C -2.3289 1.7076 -1.1630 C.3 1 UNL1111111111 -0.0552 24 C 0.8805 2.2198 1.5864 C.3 1 UNL1111111111 0.0046 25 C -3.4693 1.4179 -0.1597 C.3 1 UNL1111111111 0.0955 26 C -3.3147 0.0219 0.4733 C.3 1 UNL1111111111 0.0145 27 C 0.9590 2.9129 0.2158 C.3 1 UNL1111111111 -0.2748 28 C 3.2097 1.9149 -0.1216 C.3 1 UNL1111111111 0.1257 29 C 2.4167 3.2249 -0.1335 C.3 1 UNL1111111111 -0.3283 30 C -4.5549 -0.3837 1.2766 C.3 1 UNL1111111111 -0.0177 31 C 4.7189 2.1220 -0.3451 C.3 1 UNL1111111111 -0.1400 32 H -1.3761 -2.8565 -0.0607 H 1 UNL1111111111 0.1409 33 H 2.1900 -1.4412 1.9282 H 1 UNL1111111111 0.1599 34 H -0.4040 -1.4204 1.8234 H 1 UNL1111111111 0.1498 35 H -0.1768 -2.6431 -2.3312 H 1 UNL1111111111 0.1210 36 H 3.2281 -0.8637 -0.3863 H 1 UNL1111111111 0.1583 37 H 2.3083 -2.2518 -2.3196 H 1 UNL1111111111 0.1452 38 H 1.3517 -0.8442 -1.8462 H 1 UNL1111111111 0.1618 39 H -2.2075 -1.7087 -2.0629 H 1 UNL1111111111 0.1383 40 H 2.0566 0.6105 2.6469 H 1 UNL1111111111 0.1317 41 H -2.7182 0.5327 -2.9908 H 1 UNL1111111111 0.1774 42 H -1.3933 1.9432 -0.5870 H 1 UNL1111111111 0.1421 43 H 1.1641 2.9449 2.3892 H 1 UNL1111111111 0.1524 44 H -4.4698 1.5557 -0.6314 H 1 UNL1111111111 0.1703 45 H -2.4036 -0.0459 1.1074 H 1 UNL1111111111 0.1457 46 H -0.0671 -4.7181 -0.9951 H 1 UNL1111111111 0.2579 47 H 1.3589 -4.5195 -1.7794 H 1 UNL1111111111 0.2563 48 H 4.0491 -3.0335 -0.4475 H 1 UNL1111111111 0.2454 49 H 2.6823 -3.7262 0.1135 H 1 UNL1111111111 0.2632 50 H 0.5146 2.2648 -0.5664 H 1 UNL1111111111 0.1487 51 H 0.3503 3.8362 0.2289 H 1 UNL1111111111 0.1495 52 H 2.7889 1.1803 -0.8464 H 1 UNL1111111111 0.1465 53 H 0.9078 -3.8404 1.1444 H 1 UNL1111111111 0.3435 54 H 2.8441 3.9424 0.5914 H 1 UNL1111111111 0.1531 55 H 2.4821 3.7094 -1.1243 H 1 UNL1111111111 0.1505 56 H -5.3602 -0.7723 0.6276 H 1 UNL1111111111 0.1332 57 H -4.9319 0.4577 1.8924 H 1 UNL1111111111 0.1637 58 H -2.0342 3.1244 -2.6462 H 1 UNL1111111111 0.2582 59 H -3.0454 3.6297 -1.4419 H 1 UNL1111111111 0.2633 60 H 4.8860 2.8184 -1.1962 H 1 UNL1111111111 0.1497 61 H 5.1721 2.5823 0.5587 H 1 UNL1111111111 0.1278 62 H -0.7017 0.9491 1.2277 H 1 UNL1111111111 0.2697 63 H -0.6397 1.4730 2.7844 H 1 UNL1111111111 0.2559 64 H -0.0684 0.5244 -1.9719 H 1 UNL1111111111 0.3303 65 H -2.5608 2.4273 1.2903 H 1 UNL1111111111 0.3442 66 H 6.3359 0.8576 -0.6462 H 1 UNL1111111111 0.2463 67 H 5.0000 0.0875 -0.0904 H 1 UNL1111111111 0.2571 68 H -3.7371 -2.1048 1.7961 H 1 UNL1111111111 0.3194 @BOND 1 1 14 1 2 1 20 1 3 2 15 1 4 2 21 1 5 3 16 1 6 3 53 1 7 4 20 1 8 4 26 1 9 5 21 1 10 5 28 1 11 6 22 1 12 6 64 1 13 7 25 1 14 7 65 1 15 8 30 1 16 8 68 1 17 9 17 1 18 9 46 1 19 9 47 1 20 10 18 1 21 10 48 1 22 10 49 1 23 11 23 1 24 11 58 1 25 11 59 1 26 12 24 1 27 12 62 1 28 12 63 1 29 13 31 1 30 13 66 1 31 13 67 1 32 14 16 1 33 14 17 1 34 14 32 1 35 15 16 1 36 15 18 1 37 15 33 1 38 16 34 1 39 17 19 1 40 17 35 1 41 18 19 1 42 18 36 1 43 19 37 1 44 19 38 1 45 20 22 1 46 20 39 1 47 21 24 1 48 21 40 1 49 22 23 1 50 22 41 1 51 23 25 1 52 23 42 1 53 24 27 1 54 24 43 1 55 25 26 1 56 25 44 1 57 26 30 1 58 26 45 1 59 27 29 1 60 27 50 1 61 27 51 1 62 28 29 1 63 28 31 1 64 28 52 1 65 29 54 1 66 29 55 1 67 30 56 1 68 30 57 1 69 31 60 1 70 31 61 1