@MOLECULE dimethyl (3ar,7r,8as)-7-isopropyl-6-oxo-3,3a,6,7,8,8a-hexahydro-1,4-azulenedicarboxylate 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2772 2.2488 1.9596 O.2 1 UNL1111111111 -0.4236 2 O 3.3984 -0.7713 0.7279 O.3 1 UNL1111111111 -0.4027 3 O -4.0987 -0.2847 -0.3302 O.3 1 UNL1111111111 -0.3940 4 O 3.7330 -2.5983 -0.5361 O.2 1 UNL1111111111 -0.5032 5 O -3.3170 -2.1872 0.5773 O.2 1 UNL1111111111 -0.4863 6 C 0.6825 -0.5374 0.0988 C.3 1 UNL1111111111 -0.0834 7 C -0.7042 -0.8981 -0.5373 C.3 1 UNL1111111111 -0.1197 8 C 1.2417 0.7817 -0.4350 C.3 1 UNL1111111111 -0.2866 9 C 0.2022 1.9162 -0.3678 C.3 1 UNL1111111111 -0.2187 10 C -0.6863 -2.4473 -0.6379 C.3 1 UNL1111111111 -0.3036 11 C 1.5208 -1.7480 -0.2234 C.2 1 UNL1111111111 -0.1883 12 C 0.8707 3.3081 -0.3943 C.3 1 UNL1111111111 -0.0538 13 C -1.8463 -0.2963 0.2083 C.2 1 UNL1111111111 -0.0606 14 C 0.7716 -2.7933 -0.6164 C.2 1 UNL1111111111 -0.0285 15 C -0.5916 1.7396 0.9142 C.2 1 UNL1111111111 0.4648 16 C -1.8110 0.8887 0.8257 C.2 1 UNL1111111111 -0.2398 17 C 1.7589 3.4624 -1.6334 C.3 1 UNL1111111111 -0.4562 18 C -0.2047 4.4020 -0.3921 C.3 1 UNL1111111111 -0.4624 19 C 2.9700 -1.7908 -0.0652 C.2 1 UNL1111111111 0.6010 20 C -3.1190 -1.0632 0.1969 C.2 1 UNL1111111111 0.5806 21 C 4.7994 -0.7210 0.9745 C.3 1 UNL1111111111 -0.1715 22 C -5.3935 -0.8752 -0.4018 C.3 1 UNL1111111111 -0.1729 23 H 0.5840 -0.4717 1.2144 H 1 UNL1111111111 0.1686 24 H -0.7295 -0.4873 -1.5823 H 1 UNL1111111111 0.1653 25 H 2.1421 1.0615 0.1545 H 1 UNL1111111111 0.1722 26 H 1.5948 0.6601 -1.4764 H 1 UNL1111111111 0.1523 27 H -0.4853 1.8370 -1.2446 H 1 UNL1111111111 0.1581 28 H -1.2059 -2.8113 -1.5387 H 1 UNL1111111111 0.1587 29 H -1.2059 -2.9261 0.2222 H 1 UNL1111111111 0.1935 30 H 1.4987 3.4195 0.5253 H 1 UNL1111111111 0.1515 31 H 1.1157 -3.7819 -0.8797 H 1 UNL1111111111 0.1653 32 H -2.6832 1.3137 1.3310 H 1 UNL1111111111 0.1865 33 H 1.2063 3.2546 -2.5555 H 1 UNL1111111111 0.1441 34 H 2.1504 4.4831 -1.7109 H 1 UNL1111111111 0.1456 35 H 2.6229 2.7900 -1.6011 H 1 UNL1111111111 0.1452 36 H -0.8715 4.3205 -1.2559 H 1 UNL1111111111 0.1428 37 H 0.2483 5.3994 -0.4198 H 1 UNL1111111111 0.1466 38 H -0.8187 4.3578 0.5158 H 1 UNL1111111111 0.1534 39 H 5.1304 -1.6378 1.4741 H 1 UNL1111111111 0.1415 40 H 4.9001 0.1509 1.6316 H 1 UNL1111111111 0.1480 41 H 5.3451 -0.5825 0.0355 H 1 UNL1111111111 0.1383 42 H -6.0013 -0.0789 -0.8473 H 1 UNL1111111111 0.1484 43 H -5.7474 -1.1349 0.6017 H 1 UNL1111111111 0.1433 44 H -5.3703 -1.7643 -1.0403 H 1 UNL1111111111 0.1402 @BOND 1 1 15 2 2 2 19 1 3 2 21 1 4 3 20 1 5 3 22 1 6 4 19 2 7 5 20 2 8 6 7 1 9 6 8 1 10 6 11 1 11 6 23 1 12 7 10 1 13 7 13 1 14 7 24 1 15 8 9 1 16 8 25 1 17 8 26 1 18 9 12 1 19 9 15 1 20 9 27 1 21 10 14 1 22 10 28 1 23 10 29 1 24 11 14 2 25 11 19 1 26 12 17 1 27 12 18 1 28 12 30 1 29 13 16 2 30 13 20 1 31 14 31 1 32 15 16 1 33 16 32 1 34 17 33 1 35 17 34 1 36 17 35 1 37 18 36 1 38 18 37 1 39 18 38 1 40 21 39 1 41 21 40 1 42 21 41 1 43 22 42 1 44 22 43 1 45 22 44 1