@MOLECULE cefminox 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -1.9612 2.3655 1.9624 S.3 1 <1> -0.0347 2 S2 2.3564 1.2910 1.4936 S.3 1 <1> 0.1413 3 S3 -1.8022 -3.5293 0.6403 S.3 1 <1> 0.0594 4 O1 -4.3817 1.1909 -0.9726 O.3 1 <1> -0.3312 5 O2 -1.6625 0.2762 -2.2770 O.2 1 <1> -0.3086 6 O3 1.4487 2.7911 -2.1731 O.3 1 <1> -0.5011 7 O4 -4.0449 -1.6169 -0.9443 O.2 1 <1> -0.4205 8 O5 1.0251 0.6279 -1.7984 O.2 1 <1> -0.5054 9 O6 1.1119 -5.2188 -0.1169 O.3 1 <1> -0.5352 10 O7 2.1065 -3.5804 1.0193 O.2 1 <1> -0.5564 11 N1 -1.4589 2.1254 -0.7781 N.am 1 <1> -0.4681 12 N2 -3.1808 -0.1720 0.5855 N.am 1 <1> -0.6870 13 N3 4.3342 -0.3301 0.3252 N.ar 1 <1> -0.1431 14 N4 4.3928 1.7701 -0.3361 N.ar 1 <1> -0.2906 15 N5 1.4414 -2.1310 -1.4476 N.3 1 <1> -0.6250 16 N6 5.3749 -0.1660 -0.5464 N.ar 1 <1> -0.0917 17 N7 5.3791 1.0773 -0.9247 N.ar 1 <1> -0.0180 18 C1 -3.2116 0.9573 -0.2969 C.3 1 <1> 0.3478 19 C2 -2.5331 2.3001 0.2351 C.3 1 <1> -0.0871 20 C3 -2.0235 0.9253 -1.3638 C.2 1 <1> 0.5146 21 C4 -0.1088 2.3128 -0.4927 C.2 1 <1> 0.0847 22 C5 0.3881 2.8796 0.6306 C.2 1 <1> -0.0574 23 C6 -0.4841 3.4247 1.7016 C.3 1 <1> -0.2968 24 C7 1.8491 2.9563 0.8700 C.3 1 <1> -0.3295 25 C8 -3.5513 -1.4536 0.1392 C.2 1 <1> 0.5825 26 C9 0.8130 1.7847 -1.5493 C.2 1 <1> 0.6477 27 C10 -5.5743 1.1640 -0.1984 C.3 1 <1> -0.1864 28 C11 -3.2627 -2.5437 1.1336 C.3 1 <1> -0.4472 29 C12 3.7140 0.9044 0.4714 C.ar 1 <1> 0.0267 30 C13 -0.5456 -2.2999 0.1144 C.3 1 <1> -0.3943 31 C14 0.5046 -3.0212 -0.7512 C.3 1 <1> 0.0191 32 C15 1.3389 -3.9169 0.1540 C.2 1 <1> 0.6472 33 C16 4.0898 -1.6150 0.9556 C.3 1 <1> -0.2413 34 H1 -3.1530 3.1923 -0.0052 H 1 <1> 0.1920 35 H2 -2.8023 -0.0510 1.5181 H 1 <1> 0.3329 36 H3 -0.8034 4.4606 1.4510 H 1 <1> 0.1800 37 H4 0.0322 3.4943 2.6814 H 1 <1> 0.1812 38 H5 2.1336 3.7174 1.6244 H 1 <1> 0.1844 39 H6 2.4249 3.2572 -0.0399 H 1 <1> 0.2216 40 H7 -6.3083 1.5844 -0.9009 H 1 <1> 0.1584 41 H8 -5.4917 1.7812 0.6987 H 1 <1> 0.1248 42 H9 -5.8371 0.1297 0.0491 H 1 <1> 0.1425 43 H10 -3.1513 -2.1820 2.1711 H 1 <1> 0.1761 44 H11 -4.1165 -3.2605 1.1510 H 1 <1> 0.2047 45 H12 2.1437 2.4766 -2.8203 H 1 <1> 0.3702 46 H13 -1.0123 -1.4936 -0.4855 H 1 <1> 0.1804 47 H14 -0.0807 -1.8135 0.9904 H 1 <1> 0.1741 48 H15 0.0020 -3.6395 -1.5572 H 1 <1> 0.1999 49 H16 2.0730 -1.6329 -0.8414 H 1 <1> 0.2555 50 H17 0.9573 -1.4366 -2.0053 H 1 <1> 0.2923 51 H18 4.9561 -1.9167 1.5782 H 1 <1> 0.1768 52 H19 3.9482 -2.4072 0.1848 H 1 <1> 0.1980 53 H20 3.1876 -1.5989 1.5947 H 1 <1> 0.1862 54 H21 1.6287 -5.8441 0.4480 H 1 <1> 0.3538 @BOND 1 1 19 1 2 1 23 1 3 2 24 1 4 2 29 1 5 3 28 1 6 3 30 1 7 4 18 1 8 4 27 1 9 5 20 2 10 6 26 1 11 6 45 1 12 7 25 2 13 8 26 2 14 9 32 1 15 9 54 1 16 10 32 2 17 11 19 1 18 11 20 am 19 11 21 1 20 12 18 1 21 12 25 am 22 12 35 1 23 13 16 ar 24 13 29 ar 25 13 33 1 26 14 17 ar 27 14 29 ar 28 15 31 1 29 15 49 1 30 15 50 1 31 16 17 ar 32 18 19 1 33 18 20 1 34 19 34 1 35 21 22 2 36 21 26 1 37 22 23 1 38 22 24 1 39 23 36 1 40 23 37 1 41 24 38 1 42 24 39 1 43 25 28 1 44 27 40 1 45 27 41 1 46 27 42 1 47 28 43 1 48 28 44 1 49 30 31 1 50 30 46 1 51 30 47 1 52 31 32 1 53 31 48 1 54 33 51 1 55 33 52 1 56 33 53 1