@MOLECULE apramycin 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.4534 -1.1394 -1.5609 O.2 1 UNL1 -0.3364 2 C 3.8728 -1.7985 -0.6244 C.2 1 UNL1 0.3033 3 C 3.9504 -3.1909 -0.6339 C.1 1 UNL1 0.1825 4 O 4.0672 -4.3343 -0.6752 O.2 1 UNL1 -0.0555 5 C 4.3139 -1.1399 0.6585 C.2 1 UNL1 -0.0658 6 N 4.0111 -1.5262 1.8076 N.2 1 UNL1 -0.1597 7 C 5.1774 0.0922 0.4038 C.2 1 UNL1 0.4793 8 O 6.3729 0.0011 0.3757 O.2 1 UNL1 -0.3187 9 C 4.4279 1.3057 0.2152 C.3 1 UNL1 -0.1033 10 O 5.0174 2.5643 0.0380 O.3 1 UNL1 0.0314 11 C 3.1526 1.8193 0.0903 C.2 1 UNL1 0.0630 12 O 3.6326 3.1238 -0.0958 O.2 1 UNL1 -0.0239 13 C 1.7848 1.4668 0.0720 C.2 1 UNL1 0.1209 14 O 1.6563 0.1359 0.3646 O.2 1 UNL1 -0.1643 15 C 0.3953 -0.4137 0.3500 C.2 1 UNL1 0.2584 16 C -0.7682 0.4158 0.0739 C.2 1 UNL1 -0.0495 17 O -1.8650 -0.4088 0.2331 O.2 1 UNL1 -0.2095 18 C -3.4173 -2.2886 -0.7982 C.1 1 UNL1 0.6035 19 O -2.9944 -3.3144 -1.0714 O.2 1 UNL1 -0.0767 20 C -3.9398 -1.0809 -0.4897 C.2 1 UNL1 -0.4883 21 C -5.3939 -0.9641 -0.4129 C.2 1 UNL1 0.4356 22 O -6.1399 -1.8736 -0.6612 O.2 1 UNL1 -0.3773 23 C -5.9499 0.3888 0.0336 C.2 1 UNL1 0.3781 24 O -6.3417 1.2120 -0.7428 O.2 1 UNL1 -0.2567 25 C -5.9808 0.5448 1.4737 C.1 1 UNL1 -0.0051 26 N -5.9989 0.6634 2.6216 N.1 1 UNL1 -0.1238 27 C -3.2970 1.3521 -0.1027 C.3 1 UNL1 -0.1716 28 C -3.0875 0.0261 -0.2072 C.3 1 UNL1 0.3492 29 N -2.8385 2.4921 -0.0089 N.4 1 UNL1 -0.0125 30 C 0.3789 -3.0312 0.7630 C.1 1 UNL1 0.1552 31 N 0.3898 -4.1926 0.9148 N.1 1 UNL1 -0.2082 32 C 0.3535 -1.7090 0.5613 C.3 1 UNL1 -0.1652 33 C -0.6351 1.7388 -0.2670 C.2 1 UNL1 0.1361 34 O -1.5491 2.6274 -0.6965 O.2 1 UNL1 -0.1182 35 C 0.7155 2.2977 -0.2115 C.2 1 UNL1 0.1255 36 N 0.8989 3.6291 -0.4542 N.1 1 UNL1 -0.5438 37 C 0.9991 4.7986 -0.6555 C.1 1 UNL1 0.4120 @BOND 1 1 2 1 2 19 18 2 3 18 20 2 4 24 23 2 5 34 33 1 6 34 29 1 7 4 3 2 8 22 21 2 9 37 36 3 10 3 2 2 11 2 5 1 12 20 21 1 13 20 28 1 14 36 35 1 15 21 23 1 16 33 35 2 17 33 16 1 18 35 13 1 19 28 27 1 20 28 17 1 21 27 29 1 22 12 10 1 23 12 11 1 24 23 25 1 25 10 9 1 26 13 11 2 27 13 14 1 28 16 17 1 29 16 15 2 30 11 9 1 31 9 7 1 32 15 14 1 33 15 32 1 34 8 7 2 35 7 5 1 36 32 30 1 37 5 6 2 38 30 31 3 39 25 26 3