@MOLECULE docebenone 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5415 2.0773 0.7319 O.2 1 UNL1111111111 -0.4054 2 O -2.6367 -3.0121 -0.3607 O.2 1 UNL1111111111 -0.4048 3 O 5.6057 -1.7724 2.1605 O.3 1 UNL1111111111 -0.5275 4 C -1.0530 1.1802 1.5217 C.3 1 UNL1111111111 -0.2676 5 C -0.1857 1.9397 0.5053 C.3 1 UNL1111111111 -0.2536 6 C -2.0236 0.2848 0.8224 C.2 1 UNL1111111111 -0.1008 7 C 0.7747 2.8877 1.2375 C.3 1 UNL1111111111 -0.2567 8 C -1.7905 -1.0036 0.5198 C.2 1 UNL1111111111 -0.0606 9 C -3.3294 0.9137 0.4845 C.2 1 UNL1111111111 0.4180 10 C -4.3754 0.0775 -0.1721 C.2 1 UNL1111111111 -0.0731 11 C -4.1381 -1.2070 -0.4800 C.2 1 UNL1111111111 -0.0803 12 C -2.8370 -1.8424 -0.1324 C.2 1 UNL1111111111 0.4160 13 C 1.6510 3.6891 0.2538 C.3 1 UNL1111111111 -0.2359 14 C -0.5274 -1.7262 0.7925 C.3 1 UNL1111111111 -0.4347 15 C -5.6444 0.7991 -0.4414 C.3 1 UNL1111111111 -0.4331 16 C -5.0974 -2.1141 -1.1567 C.3 1 UNL1111111111 -0.4328 17 C 2.5231 2.8413 -0.5052 C.1 1 UNL1111111111 -0.1071 18 C 4.1598 1.2765 -1.8695 C.3 1 UNL1111111111 -0.2380 19 C 3.4555 0.0937 -2.5576 C.3 1 UNL1111111111 -0.2384 20 C 3.2603 2.1262 -1.1487 C.1 1 UNL1111111111 -0.1076 21 C 2.7042 -0.8249 -1.5739 C.3 1 UNL1111111111 -0.2479 22 C 3.5676 -1.4518 -0.6165 C.1 1 UNL1111111111 -0.0375 23 C 4.2584 -2.0070 0.2113 C.1 1 UNL1111111111 -0.1928 24 C 5.0802 -2.6645 1.1919 C.3 1 UNL1111111111 0.0387 25 H -0.4137 0.6091 2.2238 H 1 UNL1111111111 0.1509 26 H -1.5992 1.9145 2.1550 H 1 UNL1111111111 0.1664 27 H 0.3874 1.2293 -0.1211 H 1 UNL1111111111 0.1425 28 H -0.8288 2.5131 -0.1881 H 1 UNL1111111111 0.1484 29 H 1.4224 2.3158 1.9281 H 1 UNL1111111111 0.1415 30 H 0.1948 3.5974 1.8590 H 1 UNL1111111111 0.1401 31 H 2.2478 4.4343 0.8322 H 1 UNL1111111111 0.1578 32 H 1.0025 4.2872 -0.4299 H 1 UNL1111111111 0.1594 33 H 0.2829 -1.0685 1.1318 H 1 UNL1111111111 0.1607 34 H -0.1669 -2.2578 -0.1036 H 1 UNL1111111111 0.1730 35 H -0.6763 -2.5000 1.5669 H 1 UNL1111111111 0.1729 36 H -6.4815 0.1335 -0.6864 H 1 UNL1111111111 0.1557 37 H -5.5226 1.5048 -1.2813 H 1 UNL1111111111 0.1704 38 H -5.9543 1.4057 0.4277 H 1 UNL1111111111 0.1750 39 H -5.9381 -1.5853 -1.6241 H 1 UNL1111111111 0.1562 40 H -5.5170 -2.8441 -0.4444 H 1 UNL1111111111 0.1704 41 H -4.6030 -2.7036 -1.9498 H 1 UNL1111111111 0.1735 42 H 4.7099 1.8664 -2.6427 H 1 UNL1111111111 0.1581 43 H 4.9497 0.8848 -1.1809 H 1 UNL1111111111 0.1694 44 H 2.7322 0.4761 -3.3068 H 1 UNL1111111111 0.1441 45 H 4.2120 -0.4937 -3.1161 H 1 UNL1111111111 0.1428 46 H 2.1590 -1.6011 -2.1634 H 1 UNL1111111111 0.1625 47 H 1.9130 -0.2329 -1.0492 H 1 UNL1111111111 0.1699 48 H 4.5242 -3.4743 1.7167 H 1 UNL1111111111 0.1316 49 H 6.0086 -3.0950 0.7470 H 1 UNL1111111111 0.1588 50 H 4.8858 -1.2867 2.6141 H 1 UNL1111111111 0.3116 @BOND 1 1 9 2 2 2 12 2 3 3 24 1 4 3 50 1 5 4 5 1 6 4 6 1 7 4 25 1 8 4 26 1 9 5 7 1 10 5 27 1 11 5 28 1 12 6 8 2 13 6 9 1 14 7 13 1 15 7 29 1 16 7 30 1 17 8 12 1 18 8 14 1 19 9 10 1 20 10 11 2 21 10 15 1 22 11 12 1 23 11 16 1 24 13 17 1 25 13 31 1 26 13 32 1 27 14 33 1 28 14 34 1 29 14 35 1 30 15 36 1 31 15 37 1 32 15 38 1 33 16 39 1 34 16 40 1 35 16 41 1 36 17 20 3 37 18 19 1 38 18 20 1 39 18 42 1 40 18 43 1 41 19 21 1 42 19 44 1 43 19 45 1 44 21 22 1 45 21 46 1 46 21 47 1 47 22 23 3 48 23 24 1 49 24 48 1 50 24 49 1