@MOLECULE pseudocubebin 44 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4502 -1.2579 1.5539 O.3 1 UNL1111111111 -0.3973 2 O 1.4239 0.9919 1.7102 O.3 1 UNL1111111111 -0.3947 3 O -5.8828 -1.4317 -0.8320 O.3 1 UNL1111111111 -0.3395 4 O 5.8370 1.5783 -0.6484 O.3 1 UNL1111111111 -0.3395 5 O -6.6061 0.7701 -1.2698 O.3 1 UNL1111111111 -0.3431 6 O 6.6153 -0.5323 -1.3579 O.3 1 UNL1111111111 -0.3428 7 C -0.4570 0.5577 0.3250 C.3 1 UNL1111111111 -0.1859 8 C 0.4708 -0.6801 0.2684 C.3 1 UNL1111111111 -0.1868 9 C -1.6302 0.1161 1.2302 C.3 1 UNL1111111111 0.1045 10 C 1.6394 -0.3260 1.2188 C.3 1 UNL1111111111 0.1036 11 C -0.4092 -1.8260 0.7694 C.3 1 UNL1111111111 -0.0475 12 C 0.4188 1.6468 0.9463 C.3 1 UNL1111111111 -0.0489 13 C -2.9597 0.3167 0.5558 C.ar 1 UNL1111111111 -0.0524 14 C 2.9694 -0.4068 0.5195 C.ar 1 UNL1111111111 -0.0530 15 C -3.7412 -0.8019 0.2110 C.ar 1 UNL1111111111 -0.1782 16 C 3.7193 0.7664 0.3142 C.ar 1 UNL1111111111 -0.1791 17 C -3.3889 1.6177 0.3018 C.ar 1 UNL1111111111 -0.1803 18 C 3.4310 -1.6545 0.1058 C.ar 1 UNL1111111111 -0.1800 19 C -4.9424 -0.5310 -0.3969 C.ar 1 UNL1111111111 0.1281 20 C 4.9233 0.6057 -0.3264 C.ar 1 UNL1111111111 0.1281 21 C -4.6208 1.8856 -0.3211 C.ar 1 UNL1111111111 -0.1767 22 C 4.6664 -1.8096 -0.5482 C.ar 1 UNL1111111111 -0.1768 23 C -5.3758 0.7891 -0.6600 C.ar 1 UNL1111111111 0.1208 24 C 5.3897 -0.6597 -0.7517 C.ar 1 UNL1111111111 0.1208 25 C -6.9506 -0.6290 -1.3841 C.3 1 UNL1111111111 0.1579 26 C 6.9223 0.8790 -1.2987 C.3 1 UNL1111111111 0.1578 27 H -0.8186 0.8504 -0.6803 H 1 UNL1111111111 0.1600 28 H 0.8401 -0.8730 -0.7583 H 1 UNL1111111111 0.1599 29 H -1.6141 0.6118 2.2304 H 1 UNL1111111111 0.1561 30 H 1.6427 -0.9399 2.1506 H 1 UNL1111111111 0.1563 31 H -0.8835 -2.3835 -0.0572 H 1 UNL1111111111 0.1285 32 H 0.0952 -2.5294 1.4509 H 1 UNL1111111111 0.1397 33 H 0.9229 2.2658 0.1839 H 1 UNL1111111111 0.1283 34 H -0.0966 2.2961 1.6716 H 1 UNL1111111111 0.1406 35 H -3.4096 -1.8151 0.4286 H 1 UNL1111111111 0.1912 36 H 3.3642 1.7355 0.6581 H 1 UNL1111111111 0.1908 37 H -2.7618 2.4597 0.5917 H 1 UNL1111111111 0.1587 38 H 2.8285 -2.5426 0.2912 H 1 UNL1111111111 0.1590 39 H -4.9503 2.9003 -0.5169 H 1 UNL1111111111 0.1729 40 H 5.0221 -2.7832 -0.8678 H 1 UNL1111111111 0.1730 41 H -7.8497 -0.8037 -0.7769 H 1 UNL1111111111 0.1423 42 H -7.0311 -0.8680 -2.4533 H 1 UNL1111111111 0.1407 43 H 7.8201 1.0013 -0.6770 H 1 UNL1111111111 0.1424 44 H 6.9900 1.2505 -2.3303 H 1 UNL1111111111 0.1408 @BOND 1 1 9 1 2 1 11 1 3 2 10 1 4 2 12 1 5 3 19 1 6 3 25 1 7 4 20 1 8 4 26 1 9 5 23 1 10 5 25 1 11 6 24 1 12 6 26 1 13 7 8 1 14 7 9 1 15 7 12 1 16 7 27 1 17 8 10 1 18 8 11 1 19 8 28 1 20 9 13 1 21 9 29 1 22 10 14 1 23 10 30 1 24 11 31 1 25 11 32 1 26 12 33 1 27 12 34 1 28 13 15 ar 29 13 17 ar 30 14 16 ar 31 14 18 ar 32 15 19 ar 33 15 35 1 34 16 20 ar 35 16 36 1 36 17 21 ar 37 17 37 1 38 18 22 ar 39 18 38 1 40 19 23 ar 41 20 24 ar 42 21 23 ar 43 21 39 1 44 22 24 ar 45 22 40 1 46 25 41 1 47 25 42 1 48 26 43 1 49 26 44 1