@MOLECULE cefodizime 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.9469 1.7028 1.3535 C.3 1 UNL1 -0.0419 2 CA -3.1291 2.1078 0.3769 C.3 1 UNL1 0.0209 3 C -6.4250 -2.5937 0.0132 C.ar 1 UNL1 -0.3558 4 C 2.0157 -0.2155 0.5654 C.3 1 UNL1 -0.3392 5 C 8.5033 -1.1133 0.1606 C.3 1 UNL1 -0.3094 6 C 6.1521 -2.5526 -1.3970 C.3 1 UNL1 -0.4395 7 C -9.0334 1.5146 -1.3115 C.3 1 UNL1 -0.2433 8 H -3.6152 0.2597 -0.5433 H 1 UNL1 0.3597 9 H -2.5224 -4.3093 -0.9047 H 1 UNL1 0.3071 10 H -2.0030 -2.6972 -0.7189 H 1 UNL1 0.3201 11 C -5.6800 -1.4622 -0.1795 C.ar 1 UNL1 0.1862 12 C 4.7795 -0.0254 0.7979 C.ar 1 UNL1 -0.0130 13 C 7.0630 -0.8465 0.2809 C.ar 1 UNL1 -0.2697 14 C 6.0388 -1.4699 -0.3946 C.ar 1 UNL1 0.1932 15 C -4.0006 -2.9562 -0.4266 C.ar 1 UNL1 0.2982 16 O -1.9156 2.7118 -1.8188 O.2 1 UNL1 -0.3616 17 OXT 1.4467 2.9832 -1.3366 O.2 1 UNL1 -0.4253 18 O -5.7711 1.8886 1.1089 O.2 1 UNL1 -0.4850 19 O 8.5943 0.4360 -1.7427 O.2 1 UNL1 -0.4745 20 C 0.0169 -0.0271 2.0869 C.3 1 UNL1 -0.3159 21 O 1.0246 0.9091 -2.0651 O.3 1 UNL1 -0.5501 22 O 10.4587 -0.4910 -0.9492 O.3 1 UNL1 -0.5759 23 C 0.9568 1.9080 -1.1463 C.2 1 UNL1 0.6235 24 C -5.3210 1.0370 0.3753 C.2 1 UNL1 0.5811 25 C -6.1734 -0.0798 -0.1788 C.2 1 UNL1 -0.0183 26 C 9.1106 -0.2907 -0.9415 C.2 1 UNL1 0.6429 27 O -7.7737 1.4126 -0.6292 O.2 1 UNL1 -0.0805 28 C -2.0022 2.3864 -0.6867 C.2 1 UNL1 0.5464 29 CA 0.2230 1.4137 0.0609 C.2 1 UNL1 0.0927 30 C 0.7228 0.4444 0.8639 C.2 1 UNL1 -0.0642 31 H 1.4865 1.1760 -2.9017 H 1 UNL1 0.3605 32 H 10.9322 0.0233 -1.6474 H 1 UNL1 0.3581 33 N -2.7136 -3.3956 -0.5463 N.pl3 1 UNL1 -0.5661 34 N -4.0145 1.0826 -0.0811 N.am 1 UNL1 -0.5684 35 N -7.3644 0.1122 -0.6575 N.2 1 UNL1 -0.1538 36 N -4.3203 -1.6670 -0.4418 N.ar 1 UNL1 -0.5329 37 N 4.7589 -1.0026 -0.0821 N.ar 1 UNL1 -0.4256 38 S 3.3399 0.7662 1.3836 S.3 1 UNL1 0.1444 39 S -1.8080 -0.0510 1.8495 S.3 1 UNL1 0.0010 40 S 6.4181 0.3959 1.3307 S.2 1 UNL1 0.2249 41 S -5.4223 -4.0169 -0.0938 S.2 1 UNL1 0.1591 42 N -0.9819 2.0736 0.2803 N.am 1 UNL1 -0.4906 43 H -1.8484 2.3690 2.2330 H 1 UNL1 0.1759 44 HA -3.6759 3.0188 0.7169 H 1 UNL1 0.2029 45 H 0.3125 -1.0572 2.3719 H 1 UNL1 0.1765 46 H 0.2731 0.6096 2.9609 H 1 UNL1 0.1784 47 H 2.0528 -1.2656 0.9188 H 1 UNL1 0.1802 48 H 2.2238 -0.3006 -0.5281 H 1 UNL1 0.2086 49 H -7.4844 -2.6449 0.1961 H 1 UNL1 0.2034 50 H 9.0611 -0.9317 1.1126 H 1 UNL1 0.1952 51 H 8.6959 -2.1979 -0.0483 H 1 UNL1 0.1947 52 H 6.5427 -2.1620 -2.3532 H 1 UNL1 0.1785 53 H 6.8210 -3.3598 -1.0675 H 1 UNL1 0.1600 54 H 5.1698 -3.0052 -1.6194 H 1 UNL1 0.1793 55 H -9.2205 2.5944 -1.2530 H 1 UNL1 0.1532 56 H -8.9518 1.1842 -2.3506 H 1 UNL1 0.1472 57 H -9.8105 0.9512 -0.7873 H 1 UNL1 0.1466 @BOND 1 31 21 1 2 52 6 1 3 56 7 1 4 21 23 1 5 16 28 2 6 19 26 2 7 32 22 1 8 54 6 1 9 6 53 1 10 6 14 1 11 17 23 2 12 7 55 1 13 7 57 1 14 7 27 1 15 23 29 1 16 22 26 1 17 26 5 1 18 9 33 1 19 10 33 1 20 28 42 am 21 28 2 1 22 35 27 1 23 35 25 2 24 33 15 1 25 8 34 1 26 48 4 1 27 36 15 ar 28 36 11 ar 29 15 41 ar 30 14 37 ar 31 14 13 ar 32 11 25 1 33 11 3 ar 34 25 24 1 35 41 3 ar 36 37 12 ar 37 34 24 am 38 34 2 1 39 51 5 1 40 3 49 1 41 29 42 1 42 29 30 2 43 5 13 1 44 5 50 1 45 42 1 1 46 13 40 ar 47 24 18 2 48 2 44 1 49 2 1 1 50 4 30 1 51 4 47 1 52 4 38 1 53 12 40 ar 54 12 38 1 55 30 20 1 56 1 39 1 57 1 43 1 58 39 20 1 59 20 45 1 60 20 46 1