@MOLECULE (1r,2s,8s)-2,6,7,7-tetramethyltricyclo[6.2.1.0~1,5~]undec-5-en-4-one 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3287 2.8119 0.3551 O.2 1 UNL1111111111 -0.4777 2 C -0.8460 -0.7119 -0.1220 C.3 1 UNL1111111111 0.0670 3 C 1.3580 -1.5635 -0.1908 C.3 1 UNL1111111111 -0.1111 4 C 0.0806 -1.5081 -1.0618 C.3 1 UNL1111111111 -0.3038 5 C 2.0461 -0.1645 -0.2009 C.3 1 UNL1111111111 0.0600 6 C -0.6627 -1.4409 1.2325 C.3 1 UNL1111111111 -0.2790 7 C -2.2945 -0.5121 -0.6276 C.3 1 UNL1111111111 -0.0943 8 C 0.7973 -1.9477 1.2035 C.3 1 UNL1111111111 -0.2814 9 C -0.2830 0.6847 0.0179 C.2 1 UNL1111111111 -0.2805 10 C 1.0339 0.9483 0.0205 C.2 1 UNL1111111111 0.1351 11 C -2.6997 0.8994 -0.1459 C.3 1 UNL1111111111 -0.3972 12 C -1.3987 1.6334 0.1135 C.2 1 UNL1111111111 0.4974 13 C 3.1426 -0.1063 0.8739 C.3 1 UNL1111111111 -0.4559 14 C 2.6957 0.0503 -1.5827 C.3 1 UNL1111111111 -0.4573 15 C -3.2863 -1.5753 -0.1730 C.3 1 UNL1111111111 -0.4471 16 C 1.5515 2.3272 0.2192 C.3 1 UNL1111111111 -0.4725 17 H 2.0725 -2.3251 -0.5519 H 1 UNL1111111111 0.1317 18 H 0.2323 -1.0161 -2.0305 H 1 UNL1111111111 0.1425 19 H -0.3132 -2.5130 -1.2709 H 1 UNL1111111111 0.1411 20 H -1.3644 -2.2816 1.3382 H 1 UNL1111111111 0.1391 21 H -0.8481 -0.7646 2.0796 H 1 UNL1111111111 0.1420 22 H -2.2653 -0.5123 -1.7451 H 1 UNL1111111111 0.1397 23 H 1.3862 -1.5157 2.0241 H 1 UNL1111111111 0.1406 24 H 0.8348 -3.0396 1.3400 H 1 UNL1111111111 0.1323 25 H -3.2989 0.8641 0.7816 H 1 UNL1111111111 0.1731 26 H -3.3208 1.4312 -0.8841 H 1 UNL1111111111 0.1687 27 H 2.7184 -0.0129 1.8803 H 1 UNL1111111111 0.1510 28 H 3.7629 -1.0088 0.8541 H 1 UNL1111111111 0.1472 29 H 3.8089 0.7509 0.7268 H 1 UNL1111111111 0.1490 30 H 3.2523 0.9926 -1.6260 H 1 UNL1111111111 0.1489 31 H 3.3978 -0.7564 -1.8171 H 1 UNL1111111111 0.1472 32 H 1.9452 0.0817 -2.3804 H 1 UNL1111111111 0.1511 33 H -3.4265 -1.5715 0.9141 H 1 UNL1111111111 0.1479 34 H -2.9518 -2.5788 -0.4615 H 1 UNL1111111111 0.1454 35 H -4.2709 -1.4134 -0.6278 H 1 UNL1111111111 0.1453 36 H 1.5481 2.5883 1.2908 H 1 UNL1111111111 0.1741 37 H 0.9059 3.0825 -0.2664 H 1 UNL1111111111 0.1874 38 H 2.5698 2.4745 -0.1568 H 1 UNL1111111111 0.1531 @BOND 1 1 12 2 2 2 4 1 3 2 6 1 4 2 7 1 5 2 9 1 6 3 4 1 7 3 5 1 8 3 8 1 9 3 17 1 10 4 18 1 11 4 19 1 12 5 10 1 13 5 13 1 14 5 14 1 15 6 8 1 16 6 20 1 17 6 21 1 18 7 11 1 19 7 15 1 20 7 22 1 21 8 23 1 22 8 24 1 23 9 10 2 24 9 12 1 25 10 16 1 26 11 12 1 27 11 25 1 28 11 26 1 29 13 27 1 30 13 28 1 31 13 29 1 32 14 30 1 33 14 31 1 34 14 32 1 35 15 33 1 36 15 34 1 37 15 35 1 38 16 36 1 39 16 37 1 40 16 38 1