@MOLECULE gentamicin c1 33 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.1100 -2.1330 0.6949 O.3 1 UNL1 0.0258 2 O -2.2839 -0.6377 -0.3443 O.3 1 UNL1 -0.4625 3 O 0.3067 -0.1493 -0.0497 O.2 1 UNL1 -0.3616 4 O 2.4130 -0.8865 -1.2232 O.3 1 UNL1 -0.2383 5 O -4.0696 0.5190 -0.9079 O.3 1 UNL1 -0.3681 6 O 3.8740 -0.4407 2.0241 O.2 1 UNL1 -0.3440 7 O 4.1497 2.1990 -2.0200 O.3 1 UNL1 -0.2490 8 N 1.2627 -4.7495 0.6436 N.2 1 UNL1 -0.1231 9 N -3.1705 -3.3750 -0.4880 N.2 1 UNL1 -0.1294 10 N 4.7940 1.8841 0.7644 N.1 1 UNL1 -0.5165 11 N 1.1172 2.8255 0.7030 N.1 1 UNL1 -0.2220 12 N -6.1888 1.5626 0.3450 N.1 1 UNL1 -0.4975 13 C 0.8529 -2.3897 0.3190 C.3 1 UNL1 -0.0746 14 C -1.4766 -1.6677 -0.2486 C.3 1 UNL1 0.1327 15 C -0.0695 -1.3068 -0.0143 C.2 1 UNL1 0.3824 16 C 0.4532 -3.7953 0.3725 C.2 1 UNL1 0.0734 17 C -1.9520 -3.0534 -0.2442 C.2 1 UNL1 0.0325 18 C -0.9174 -3.9504 0.0752 C.3 1 UNL1 0.0394 19 C 2.7285 -1.1092 0.0856 C.3 1 UNL1 0.0728 20 C 3.9721 1.0099 0.1507 C.3 1 UNL1 0.0935 21 C 3.5609 -0.2014 0.8831 C.2 1 UNL1 0.3745 22 C -3.4113 -0.5737 -1.1250 C.3 1 UNL1 0.6013 23 C 3.4197 1.2529 -1.1593 C.3 1 UNL1 -0.3908 24 C 0.0014 2.5441 0.5494 C.1 1 UNL1 0.1910 25 C -3.7933 1.5211 -0.0157 C.3 1 UNL1 0.1691 26 C -1.3130 2.2111 0.3583 C.1 1 UNL1 -0.0001 27 C 2.7399 0.1710 -1.8793 C.3 1 UNL1 0.3479 28 C -2.4849 1.9021 0.1886 C.1 1 UNL1 -0.0761 29 C -4.9454 2.1022 0.6048 C.2 1 UNL1 -0.2575 30 C 3.0474 2.7347 -1.6452 C.3 1 UNL1 0.5480 31 C -4.8441 3.1698 1.4442 C.2 1 UNL1 0.4926 32 C 5.5243 2.5965 1.3842 C.1 1 UNL1 0.3950 33 C -7.2026 1.0290 0.0536 C.1 1 UNL1 0.3390 @BOND 1 7 30 1 2 7 23 1 3 27 4 1 4 27 23 1 5 30 23 1 6 4 19 1 7 23 20 1 8 22 5 1 9 22 2 1 10 5 25 1 11 9 17 2 12 2 14 1 13 14 17 1 14 14 15 1 15 17 18 1 16 3 15 2 17 25 28 1 18 25 29 1 19 15 13 1 20 33 12 3 21 18 16 1 22 19 1 1 23 19 21 1 24 20 10 1 25 20 21 1 26 28 26 3 27 13 16 1 28 13 1 1 29 12 29 1 30 26 24 1 31 16 8 2 32 24 11 3 33 29 31 2 34 10 32 3 35 21 6 2