@MOLECULE tobramycin 69 71 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.1019 -1.2972 -0.3006 C.3 1 UNL1 0.0555 2 C 0.0756 -0.2955 0.2645 C.3 1 UNL1 0.0865 3 C 0.8415 -2.7511 0.1687 C.3 1 UNL1 0.0200 4 C -1.3790 -0.7766 0.0674 C.3 1 UNL1 0.0342 5 C 3.4608 -1.0232 -0.5389 C.3 1 UNL1 0.2757 6 C -1.5937 -2.2202 0.5934 C.3 1 UNL1 0.0389 7 C 4.6688 -0.9315 0.4240 C.3 1 UNL1 0.0357 8 C -2.6250 1.2390 0.3115 C.3 1 UNL1 0.2646 9 C 3.4600 1.3222 -0.9292 C.3 1 UNL1 0.0569 10 C 4.7807 0.4889 1.0236 C.3 1 UNL1 -0.0569 11 C -3.3644 1.9922 1.4567 C.3 1 UNL1 0.0023 12 C 4.7654 1.5170 -0.1341 C.3 1 UNL1 0.0849 13 C -4.6362 0.2878 -0.5188 C.3 1 UNL1 0.0815 14 C -5.5057 1.1548 0.4140 C.3 1 UNL1 0.1034 15 C 3.3418 2.2590 -2.1303 C.3 1 UNL1 -0.0220 16 C -5.2534 0.0305 -1.8996 C.3 1 UNL1 -0.1312 17 H 0.9892 1.1160 -0.8520 H 1 UNL1 0.3567 18 H 1.9782 -4.4815 -0.0208 H 1 UNL1 0.2587 19 H 1.5394 -3.8377 -1.4634 H 1 UNL1 0.2529 20 H -3.6250 -2.2593 0.9585 H 1 UNL1 0.2570 21 H -3.2599 -2.5667 -0.6026 H 1 UNL1 0.2676 22 H 3.5999 -2.0117 1.6827 H 1 UNL1 0.3392 23 H 5.9697 0.1706 2.6790 H 1 UNL1 0.2654 24 H 6.8345 0.4343 1.3155 H 1 UNL1 0.2481 25 H -2.4977 1.0532 3.0780 H 1 UNL1 0.2537 26 H -1.6308 2.3229 2.5309 H 1 UNL1 0.2547 27 H 5.2490 2.8868 1.1957 H 1 UNL1 0.3480 28 H 1.6571 2.2520 -3.2024 H 1 UNL1 0.3188 29 H -7.1961 0.7394 1.3700 H 1 UNL1 0.3210 30 H -4.6559 -1.0349 -3.5769 H 1 UNL1 0.2490 31 H -3.4115 -0.5539 -2.6072 H 1 UNL1 0.2549 32 C -0.6100 -3.1555 -0.1285 C.3 1 UNL1 -0.3521 33 C -4.7435 1.3701 1.7268 C.3 1 UNL1 -0.3530 34 O 0.1144 0.9187 -0.4525 O.3 1 UNL1 -0.5952 35 O 4.5513 -1.8538 1.4766 O.3 1 UNL1 -0.5423 36 O 4.7105 2.8325 0.3683 O.3 1 UNL1 -0.5533 37 O 1.9509 2.4914 -2.3014 O.3 1 UNL1 -0.5534 38 O -6.6663 0.3758 0.6351 O.3 1 UNL1 -0.5612 39 O 2.3301 -0.8864 0.2919 O.3 1 UNL1 -0.4671 40 O -2.2222 0.0147 0.8878 O.3 1 UNL1 -0.4726 41 O 3.4741 0.0117 -1.4815 O.3 1 UNL1 -0.4587 42 O -3.4496 1.0204 -0.7949 O.3 1 UNL1 -0.4543 43 N 1.8149 -3.6223 -0.5196 N.3 1 UNL1 -0.6642 44 N -2.9580 -2.7196 0.3540 N.3 1 UNL1 -0.6372 45 N 6.0016 0.6997 1.8181 N.3 1 UNL1 -0.6408 46 N -2.5725 1.9896 2.7026 N.3 1 UNL1 -0.6244 47 N -4.3580 -0.9070 -2.6228 N.3 1 UNL1 -0.6480 48 H 1.1531 -1.2249 -1.4083 H 1 UNL1 0.1508 49 H 0.2867 -0.0563 1.3317 H 1 UNL1 0.1497 50 H 1.0411 -2.8056 1.2696 H 1 UNL1 0.1516 51 H -1.6797 -0.6774 -0.9984 H 1 UNL1 0.1523 52 H 3.4365 -1.9493 -1.1548 H 1 UNL1 0.1731 53 H -0.8084 -3.1541 -1.2161 H 1 UNL1 0.1536 54 H -0.8007 -4.1971 0.2007 H 1 UNL1 0.1696 55 H -1.4105 -2.2405 1.6993 H 1 UNL1 0.1519 56 H 5.6057 -1.2314 -0.0959 H 1 UNL1 0.1503 57 H -1.7692 1.8025 -0.1272 H 1 UNL1 0.1749 58 H 2.5716 1.4432 -0.2574 H 1 UNL1 0.1654 59 H 3.8994 0.6746 1.6965 H 1 UNL1 0.1754 60 H -3.4919 3.0583 1.1355 H 1 UNL1 0.1579 61 H 5.6649 1.4386 -0.7785 H 1 UNL1 0.1326 62 H 3.7733 3.2553 -1.8966 H 1 UNL1 0.1632 63 H 3.7963 1.8375 -3.0402 H 1 UNL1 0.1289 64 H -4.3812 -0.6730 -0.0220 H 1 UNL1 0.1483 65 H -4.6311 0.3999 2.2526 H 1 UNL1 0.1646 66 H -5.3119 2.0192 2.4190 H 1 UNL1 0.1606 67 H -5.8102 2.1089 -0.0613 H 1 UNL1 0.1320 68 H -6.2495 -0.4554 -1.7709 H 1 UNL1 0.1681 69 H -5.4100 0.9888 -2.4392 H 1 UNL1 0.1277 @BOND 1 30 47 1 2 28 37 1 3 63 15 1 4 47 31 1 5 47 16 1 6 69 16 1 7 37 15 1 8 15 62 1 9 15 9 1 10 16 68 1 11 16 13 1 12 41 9 1 13 41 5 1 14 19 43 1 15 48 1 1 16 53 32 1 17 52 5 1 18 51 4 1 19 9 58 1 20 9 12 1 21 17 34 1 22 42 13 1 23 42 8 1 24 61 12 1 25 21 44 1 26 5 39 1 27 5 7 1 28 43 18 1 29 43 3 1 30 13 64 1 31 13 14 1 32 34 2 1 33 1 3 1 34 1 2 1 35 1 39 1 36 12 36 1 37 12 10 1 38 32 3 1 39 32 54 1 40 32 6 1 41 57 8 1 42 56 7 1 43 67 14 1 44 4 2 1 45 4 6 1 46 4 40 1 47 3 50 1 48 2 49 1 49 8 40 1 50 8 11 1 51 44 6 1 52 44 20 1 53 36 27 1 54 14 38 1 55 14 33 1 56 7 10 1 57 7 35 1 58 6 55 1 59 38 29 1 60 10 59 1 61 10 45 1 62 60 11 1 63 24 45 1 64 11 33 1 65 11 46 1 66 35 22 1 67 33 65 1 68 33 66 1 69 45 23 1 70 26 46 1 71 46 25 1