@MOLECULE 4,4,8-trimethyltricyclo[6.3.1.0~2,5~]dodecan-11-one 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2922 -2.6443 0.0098 O.2 1 UNL1111111111 -0.5042 2 C 0.8234 0.1098 -1.2843 C.3 1 UNL1111111111 -0.1142 3 C 1.1207 1.1272 -0.1364 C.3 1 UNL1111111111 -0.1500 4 C 2.4935 0.4032 0.1369 C.3 1 UNL1111111111 0.0883 5 C 2.1880 -0.5829 -1.0317 C.3 1 UNL1111111111 -0.3312 6 C -0.4251 -0.7682 -1.2226 C.3 1 UNL1111111111 -0.2114 7 C -2.1901 0.6730 -0.0217 C.3 1 UNL1111111111 0.1004 8 C 0.1501 1.2221 1.0228 C.3 1 UNL1111111111 -0.2772 9 C -1.6843 0.0933 -1.3517 C.3 1 UNL1111111111 -0.2921 10 C -1.2342 1.7180 0.5915 C.3 1 UNL1111111111 -0.2867 11 C -2.5309 -0.4815 0.9395 C.3 1 UNL1111111111 -0.2806 12 C 3.6896 1.3081 -0.1234 C.3 1 UNL1111111111 -0.4635 13 C 2.6311 -0.2902 1.4810 C.3 1 UNL1111111111 -0.4612 14 C -0.4646 -1.6993 -0.0316 C.2 1 UNL1111111111 0.5013 15 C -1.4428 -1.5393 1.1054 C.3 1 UNL1111111111 -0.3760 16 C -3.5135 1.4235 -0.3226 C.3 1 UNL1111111111 -0.4767 17 H 0.8157 0.6322 -2.2646 H 1 UNL1111111111 0.1332 18 H 1.2817 2.1408 -0.5526 H 1 UNL1111111111 0.1342 19 H 2.8835 -0.5262 -1.8704 H 1 UNL1111111111 0.1403 20 H 2.1274 -1.6349 -0.7316 H 1 UNL1111111111 0.1744 21 H -0.3738 -1.4436 -2.1272 H 1 UNL1111111111 0.1665 22 H 0.5671 1.9260 1.7743 H 1 UNL1111111111 0.1357 23 H 0.0701 0.2614 1.5575 H 1 UNL1111111111 0.1482 24 H -1.4976 0.9187 -2.0664 H 1 UNL1111111111 0.1453 25 H -2.4921 -0.5149 -1.8074 H 1 UNL1111111111 0.1397 26 H -1.7330 2.1694 1.4731 H 1 UNL1111111111 0.1341 27 H -1.1063 2.5474 -0.1326 H 1 UNL1111111111 0.1397 28 H -3.4554 -0.9781 0.5779 H 1 UNL1111111111 0.1406 29 H -2.7921 -0.0646 1.9321 H 1 UNL1111111111 0.1409 30 H 1.8374 -1.0327 1.6376 H 1 UNL1111111111 0.1537 31 H 3.5827 -0.8325 1.5468 H 1 UNL1111111111 0.1511 32 H 2.5962 0.4241 2.3097 H 1 UNL1111111111 0.1433 33 H 4.6268 0.7396 -0.1063 H 1 UNL1111111111 0.1486 34 H 3.6249 1.7992 -1.1005 H 1 UNL1111111111 0.1432 35 H 3.7644 2.0926 0.6375 H 1 UNL1111111111 0.1452 36 H -1.9129 -2.5313 1.2944 H 1 UNL1111111111 0.1722 37 H -0.8533 -1.3460 2.0303 H 1 UNL1111111111 0.1705 38 H -3.3467 2.2666 -1.0004 H 1 UNL1111111111 0.1456 39 H -3.9634 1.8201 0.5926 H 1 UNL1111111111 0.1445 40 H -4.2520 0.7681 -0.7940 H 1 UNL1111111111 0.1446 @BOND 1 1 14 2 2 2 3 1 3 2 5 1 4 2 6 1 5 2 17 1 6 3 4 1 7 3 8 1 8 3 18 1 9 4 5 1 10 4 12 1 11 4 13 1 12 5 19 1 13 5 20 1 14 6 9 1 15 6 14 1 16 6 21 1 17 7 9 1 18 7 10 1 19 7 11 1 20 7 16 1 21 8 10 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 11 15 1 29 11 28 1 30 11 29 1 31 12 33 1 32 12 34 1 33 12 35 1 34 13 30 1 35 13 31 1 36 13 32 1 37 14 15 1 38 15 36 1 39 15 37 1 40 16 38 1 41 16 39 1 42 16 40 1