@MOLECULE dmcm 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7439 1.9469 0.3397 O.3 1 UNL1111111111 -0.3331 2 O 5.0341 -0.5836 -0.0025 O.3 1 UNL1111111111 -0.3364 3 O -4.6419 0.3936 1.1436 O.3 1 UNL1111111111 -0.3841 4 O -4.7412 0.7985 -1.0705 O.2 1 UNL1111111111 -0.4791 5 N 0.6095 -2.5438 -0.2638 N.ar 1 UNL1111111111 -0.3994 6 N -3.0214 -1.7790 -0.3037 N.ar 1 UNL1111111111 -0.2821 7 C -0.5236 -0.5414 -0.0508 C.ar 1 UNL1111111111 -0.0628 8 C 0.8920 -0.2682 0.0129 C.ar 1 UNL1111111111 -0.1030 9 C -0.6549 -1.9586 -0.2332 C.ar 1 UNL1111111111 0.0936 10 C 1.5624 -1.5294 -0.1135 C.ar 1 UNL1111111111 0.1680 11 C -1.6775 0.2384 0.0229 C.ar 1 UNL1111111111 0.0472 12 C -1.6327 1.7143 0.2341 C.3 1 UNL1111111111 -0.2672 13 C 1.6412 0.8984 0.1311 C.ar 1 UNL1111111111 -0.1184 14 C -2.8928 -0.4447 -0.1274 C.ar 1 UNL1111111111 -0.0244 15 C 2.9528 -1.6426 -0.0781 C.ar 1 UNL1111111111 -0.2888 16 C -1.9295 -2.5431 -0.3540 C.ar 1 UNL1111111111 -0.0425 17 C 3.0249 0.7914 0.1491 C.ar 1 UNL1111111111 0.0664 18 C 3.6742 -0.4626 0.0635 C.ar 1 UNL1111111111 0.2116 19 C -1.5412 2.4258 -1.1174 C.3 1 UNL1111111111 -0.4297 20 C -4.1829 0.3019 -0.1302 C.2 1 UNL1111111111 0.6154 21 C 4.3768 2.3928 -0.8597 C.3 1 UNL1111111111 -0.2007 22 C 5.7200 -0.0868 1.1456 C.3 1 UNL1111111111 -0.1943 23 C -5.8868 1.0661 1.3060 C.3 1 UNL1111111111 -0.1796 24 H 0.8035 -3.5115 -0.3764 H 1 UNL1111111111 0.3249 25 H -2.5286 2.0656 0.7904 H 1 UNL1111111111 0.1582 26 H -0.7738 1.9933 0.8807 H 1 UNL1111111111 0.1590 27 H 1.1666 1.8771 0.1991 H 1 UNL1111111111 0.1807 28 H 3.4618 -2.5972 -0.1585 H 1 UNL1111111111 0.1840 29 H -2.0791 -3.6163 -0.4923 H 1 UNL1111111111 0.1843 30 H -0.6578 2.1048 -1.6825 H 1 UNL1111111111 0.1516 31 H -1.4863 3.5123 -0.9932 H 1 UNL1111111111 0.1463 32 H -2.4220 2.2086 -1.7395 H 1 UNL1111111111 0.1629 33 H 5.0834 1.6421 -1.2300 H 1 UNL1111111111 0.1407 34 H 4.9016 3.2976 -0.5335 H 1 UNL1111111111 0.1434 35 H 3.6267 2.6304 -1.6197 H 1 UNL1111111111 0.1321 36 H 5.4035 -0.6304 2.0407 H 1 UNL1111111111 0.1325 37 H 5.5645 0.9903 1.2694 H 1 UNL1111111111 0.1501 38 H 6.7673 -0.3060 0.9046 H 1 UNL1111111111 0.1460 39 H -5.8092 2.1014 0.9593 H 1 UNL1111111111 0.1371 40 H -6.0532 1.0158 2.3881 H 1 UNL1111111111 0.1467 41 H -6.6746 0.5375 0.7581 H 1 UNL1111111111 0.1432 @BOND 1 1 17 1 2 1 21 1 3 2 18 1 4 2 22 1 5 3 20 1 6 3 23 1 7 4 20 2 8 5 9 ar 9 5 10 ar 10 5 24 1 11 6 14 ar 12 6 16 ar 13 7 8 ar 14 7 9 ar 15 7 11 ar 16 8 10 ar 17 8 13 ar 18 9 16 ar 19 10 15 ar 20 11 12 1 21 11 14 ar 22 12 19 1 23 12 25 1 24 12 26 1 25 13 17 ar 26 13 27 1 27 14 20 1 28 15 18 ar 29 15 28 1 30 16 29 1 31 17 18 ar 32 19 30 1 33 19 31 1 34 19 32 1 35 21 33 1 36 21 34 1 37 21 35 1 38 22 36 1 39 22 37 1 40 22 38 1 41 23 39 1 42 23 40 1 43 23 41 1