@MOLECULE cgs-20625 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0238 2.6304 0.4086 O.2 1 UNL1111111111 -0.4322 2 O 6.0567 -1.0842 -0.5703 O.3 1 UNL1111111111 -0.3157 3 N -0.1583 -0.6506 0.2654 N.ar 1 UNL1111111111 -0.3239 4 N 0.8320 0.3219 0.6617 N.ar 1 UNL1111111111 -0.3442 5 N -3.3159 1.9000 -0.6721 N.ar 1 UNL1111111111 -0.4470 6 C -2.6227 -0.4033 -0.2761 C.ar 1 UNL1111111111 -0.1814 7 C -2.9592 -1.8534 -0.2257 C.3 1 UNL1111111111 -0.2497 8 C -3.9382 -2.1531 0.9217 C.3 1 UNL1111111111 -0.2616 9 C -5.3949 -1.8763 0.5315 C.3 1 UNL1111111111 -0.2681 10 C -5.6905 -0.3846 0.3371 C.3 1 UNL1111111111 -0.2555 11 C -5.0079 0.2000 -0.9084 C.3 1 UNL1111111111 -0.2861 12 C -3.5861 0.5728 -0.6069 C.ar 1 UNL1111111111 0.2660 13 C -1.3468 0.0783 0.0057 C.ar 1 UNL1111111111 0.2079 14 C -1.0690 1.4680 -0.0430 C.ar 1 UNL1111111111 -0.3461 15 C 0.3390 1.6524 0.3091 C.ar 1 UNL1111111111 0.5864 16 C -2.0800 2.3537 -0.3990 C.ar 1 UNL1111111111 0.1719 17 C 2.1699 -0.0294 0.2896 C.ar 1 UNL1111111111 0.0884 18 C 3.1921 0.7188 0.8882 C.ar 1 UNL1111111111 -0.0941 19 C 2.4709 -1.0856 -0.5824 C.ar 1 UNL1111111111 -0.1243 20 C 4.5225 0.4067 0.6264 C.ar 1 UNL1111111111 -0.2770 21 C 3.7940 -1.4064 -0.8406 C.ar 1 UNL1111111111 -0.2337 22 C 4.8113 -0.6551 -0.2304 C.ar 1 UNL1111111111 0.2341 23 C 7.1579 -0.3607 -0.0394 C.3 1 UNL1111111111 -0.2024 24 H -3.3980 -2.1773 -1.1946 H 1 UNL1111111111 0.1569 25 H -2.0476 -2.4745 -0.1143 H 1 UNL1111111111 0.1447 26 H -3.8367 -3.2138 1.2229 H 1 UNL1111111111 0.1363 27 H -3.6663 -1.5594 1.8152 H 1 UNL1111111111 0.1446 28 H -5.6538 -2.4363 -0.3871 H 1 UNL1111111111 0.1382 29 H -6.0632 -2.2773 1.3200 H 1 UNL1111111111 0.1355 30 H -5.3857 0.1861 1.2363 H 1 UNL1111111111 0.1490 31 H -6.7852 -0.2366 0.2519 H 1 UNL1111111111 0.1389 32 H -5.5714 1.0952 -1.2586 H 1 UNL1111111111 0.1733 33 H -5.0430 -0.5200 -1.7509 H 1 UNL1111111111 0.1588 34 H -0.2094 -1.3830 0.9813 H 1 UNL1111111111 0.3066 35 H -1.9226 3.4383 -0.4695 H 1 UNL1111111111 0.1892 36 H 2.9432 1.5517 1.5510 H 1 UNL1111111111 0.1813 37 H 1.6695 -1.6474 -1.0648 H 1 UNL1111111111 0.1750 38 H 5.3103 0.9921 1.0895 H 1 UNL1111111111 0.1663 39 H 4.0559 -2.2223 -1.5101 H 1 UNL1111111111 0.1726 40 H 7.1831 -0.4332 1.0521 H 1 UNL1111111111 0.1338 41 H 7.1408 0.6815 -0.3736 H 1 UNL1111111111 0.1366 42 H 8.0151 -0.8892 -0.4783 H 1 UNL1111111111 0.1508 @BOND 1 1 15 2 2 2 22 1 3 2 23 1 4 3 4 ar 5 3 13 ar 6 3 34 1 7 4 15 ar 8 4 17 1 9 5 12 ar 10 5 16 ar 11 6 7 1 12 6 12 ar 13 6 13 ar 14 7 8 1 15 7 24 1 16 7 25 1 17 8 9 1 18 8 26 1 19 8 27 1 20 9 10 1 21 9 28 1 22 9 29 1 23 10 11 1 24 10 30 1 25 10 31 1 26 11 12 1 27 11 32 1 28 11 33 1 29 13 14 ar 30 14 15 ar 31 14 16 ar 32 16 35 1 33 17 18 ar 34 17 19 ar 35 18 20 ar 36 18 36 1 37 19 21 ar 38 19 37 1 39 20 22 ar 40 20 38 1 41 21 22 ar 42 21 39 1 43 23 40 1 44 23 41 1 45 23 42 1