@MOLECULE clindamycin 60 61 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 0.1101 2.4346 -0.1094 Cl 1 UNL11111111 -0.2318 2 S 4.1231 1.7491 -1.1584 S.3 1 UNL11111111 -0.0150 3 O 2.8035 0.5559 0.8851 O.3 1 UNL11111111 -0.4234 4 O 2.5102 -2.1348 1.4095 O.3 1 UNL11111111 -0.5386 5 O 4.3197 -3.0033 -0.3963 O.3 1 UNL11111111 -0.5209 6 O 5.7934 -0.5532 -0.8542 O.3 1 UNL11111111 -0.5074 7 O -1.8075 -1.3244 1.5131 O.2 1 UNL11111111 -0.4782 8 N -3.6099 -2.3790 -0.3545 N.3 1 UNL11111111 -0.3805 9 N -0.4974 -0.5043 -0.1402 N.am 1 UNL11111111 -0.6426 10 C -4.7534 -0.2522 0.1845 C.3 1 UNL11111111 -0.1217 11 C -2.7426 -1.2503 -0.7548 C.3 1 UNL11111111 -0.0428 12 C -3.6039 0.0304 -0.8029 C.3 1 UNL11111111 -0.3221 13 C -4.8296 -1.8020 0.2711 C.3 1 UNL11111111 -0.1274 14 C 1.8948 -0.1969 0.0907 C.3 1 UNL11111111 0.0188 15 C 0.5267 -0.0739 0.8099 C.3 1 UNL11111111 0.0422 16 C 2.3963 -1.6465 0.0901 C.3 1 UNL11111111 0.0441 17 C -6.0802 0.3620 -0.2636 C.3 1 UNL11111111 -0.2892 18 C 3.7934 -1.7124 -0.5611 C.3 1 UNL11111111 0.0840 19 C -1.6865 -1.0631 0.3437 C.2 1 UNL11111111 0.5807 20 C 4.7550 -0.6884 0.0881 C.3 1 UNL11111111 0.0461 21 C 4.0982 0.6850 0.3590 C.3 1 UNL11111111 0.0031 22 C 0.2971 1.3588 1.3271 C.3 1 UNL11111111 -0.0044 23 C -3.9217 -3.2677 -1.4893 C.3 1 UNL11111111 -0.2807 24 C -6.0542 1.8909 -0.1300 C.3 1 UNL11111111 -0.2446 25 C -0.9475 1.5056 2.1680 C.3 1 UNL11111111 -0.4716 26 C -7.3679 2.5004 -0.6174 C.3 1 UNL11111111 -0.4404 27 C 3.4056 3.2918 -0.5105 C.3 1 UNL11111111 -0.4924 28 H -4.4798 0.1469 1.1898 H 1 UNL11111111 0.1486 29 H -2.2446 -1.4500 -1.7323 H 1 UNL11111111 0.1489 30 H -3.9862 0.2029 -1.8230 H 1 UNL11111111 0.1513 31 H -3.0421 0.9376 -0.5308 H 1 UNL11111111 0.1521 32 H -5.7596 -2.1904 -0.1810 H 1 UNL11111111 0.1273 33 H -4.8162 -2.1334 1.3336 H 1 UNL11111111 0.1590 34 H 1.8457 0.2232 -0.9401 H 1 UNL11111111 0.1640 35 H 0.5025 -0.7739 1.7019 H 1 UNL11111111 0.2034 36 H 1.6799 -2.3557 -0.3842 H 1 UNL11111111 0.1794 37 H -6.9092 -0.0484 0.3451 H 1 UNL11111111 0.1412 38 H -6.3069 0.0759 -1.3073 H 1 UNL11111111 0.1387 39 H 3.7680 -1.5821 -1.6682 H 1 UNL11111111 0.1746 40 H 5.1681 -1.1059 1.0349 H 1 UNL11111111 0.1336 41 H -0.4545 -0.0998 -1.0640 H 1 UNL11111111 0.3125 42 H 4.6095 1.2204 1.1926 H 1 UNL11111111 0.1551 43 H 1.1980 1.7434 1.8548 H 1 UNL11111111 0.1635 44 H -2.9858 -3.7303 -1.8470 H 1 UNL11111111 0.1481 45 H -4.4253 -2.7797 -2.3357 H 1 UNL11111111 0.1196 46 H -4.5618 -4.0903 -1.1254 H 1 UNL11111111 0.1508 47 H -5.8737 2.1746 0.9249 H 1 UNL11111111 0.1374 48 H -5.2073 2.3097 -0.7060 H 1 UNL11111111 0.1361 49 H -0.9509 0.7848 3.0031 H 1 UNL11111111 0.1796 50 H -1.0420 2.5112 2.5981 H 1 UNL11111111 0.1610 51 H -1.8706 1.3041 1.6037 H 1 UNL11111111 0.1714 52 H 2.8556 -1.4324 2.0055 H 1 UNL11111111 0.3238 53 H 4.0913 -3.3538 0.4975 H 1 UNL11111111 0.3266 54 H -7.5423 2.2848 -1.6773 H 1 UNL11111111 0.1417 55 H -7.3674 3.5907 -0.5015 H 1 UNL11111111 0.1418 56 H -8.2247 2.1108 -0.0565 H 1 UNL11111111 0.1429 57 H 6.5771 -0.1154 -0.4592 H 1 UNL11111111 0.3126 58 H 2.6973 3.6962 -1.2455 H 1 UNL11111111 0.1759 59 H 4.1829 4.0412 -0.3314 H 1 UNL11111111 0.1620 60 H 2.8513 3.1392 0.4211 H 1 UNL11111111 0.1720 @BOND 1 45 23 1 2 44 23 1 3 30 12 1 4 29 11 1 5 54 26 1 6 39 18 1 7 23 46 1 8 23 8 1 9 38 17 1 10 58 27 1 11 2 27 1 12 2 21 1 13 41 9 1 14 34 14 1 15 6 57 1 16 6 20 1 17 12 11 1 18 12 31 1 19 12 10 1 20 11 8 1 21 11 19 1 22 48 24 1 23 26 55 1 24 26 24 1 25 26 56 1 26 18 5 1 27 18 20 1 28 18 16 1 29 27 59 1 30 27 60 1 31 5 53 1 32 36 16 1 33 8 13 1 34 17 24 1 35 17 10 1 36 17 37 1 37 32 13 1 38 9 19 am 39 9 15 1 40 24 47 1 41 1 22 1 42 20 21 1 43 20 40 1 44 16 14 1 45 16 4 1 46 14 15 1 47 14 3 1 48 10 13 1 49 10 28 1 50 13 33 1 51 19 7 2 52 21 3 1 53 21 42 1 54 15 22 1 55 15 35 1 56 22 43 1 57 22 25 1 58 4 52 1 59 51 25 1 60 25 50 1 61 25 49 1