@MOLECULE (1r,3s,4as,8r,8as)-7,8-diformyl-3,8a-dimethyl-4-methylene-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenyl (2e)-3-phenylacrylate 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1999 0.6534 0.0145 O.3 1 UNL1111111111 -0.4654 2 O 0.6360 -3.1795 -0.7805 O.2 1 UNL1111111111 -0.4620 3 O 2.3415 -4.0014 1.6989 O.2 1 UNL1111111111 -0.4426 4 O -1.1364 1.8193 1.6960 O.2 1 UNL1111111111 -0.5048 5 C 2.0529 0.0101 -0.2639 C.3 1 UNL1111111111 0.0569 6 C 3.5113 0.4420 0.0744 C.3 1 UNL1111111111 -0.1427 7 C 1.1113 1.0122 0.4617 C.3 1 UNL1111111111 0.1150 8 C 1.8001 -1.4115 0.3083 C.3 1 UNL1111111111 -0.2421 9 C 1.3790 2.4663 0.0780 C.3 1 UNL1111111111 -0.3316 10 C 2.8354 2.8334 0.4106 C.3 1 UNL1111111111 -0.1005 11 C 3.7424 1.8788 -0.3277 C.2 1 UNL1111111111 0.0230 12 C 4.5164 -0.5320 -0.5633 C.3 1 UNL1111111111 -0.2800 13 C 1.8154 0.0326 -1.7750 C.3 1 UNL1111111111 -0.4637 14 C 2.9797 -2.3213 0.1838 C.2 1 UNL1111111111 -0.1346 15 C 4.1991 -1.9428 -0.2059 C.2 1 UNL1111111111 -0.1314 16 C 3.0762 4.3088 0.0842 C.3 1 UNL1111111111 -0.4464 17 C 0.5904 -2.0494 -0.3608 C.2 1 UNL1111111111 0.3669 18 C 4.6469 2.2668 -1.2267 C.2 1 UNL1111111111 -0.3724 19 C 2.7072 -3.7325 0.5807 C.2 1 UNL1111111111 0.3663 20 C -1.2635 1.1143 0.7272 C.2 1 UNL1111111111 0.6220 21 C -2.5017 0.6013 0.1305 C.2 1 UNL1111111111 -0.2974 22 C -3.6764 0.7914 0.7474 C.2 1 UNL1111111111 -0.0275 23 C -4.9410 0.2932 0.2106 C.ar 1 UNL1111111111 -0.0511 24 C -5.0191 -0.9758 -0.3717 C.ar 1 UNL1111111111 -0.1286 25 C -6.0838 1.0967 0.2848 C.ar 1 UNL1111111111 -0.1374 26 C -6.2305 -1.4323 -0.8849 C.ar 1 UNL1111111111 -0.1529 27 C -7.2901 0.6395 -0.2382 C.ar 1 UNL1111111111 -0.1509 28 C -7.3643 -0.6242 -0.8236 C.ar 1 UNL1111111111 -0.1345 29 H 3.6430 0.3718 1.1879 H 1 UNL1111111111 0.1562 30 H 1.1535 0.8783 1.5672 H 1 UNL1111111111 0.1417 31 H 1.5625 -1.3298 1.4091 H 1 UNL1111111111 0.1892 32 H 0.6808 3.1336 0.6228 H 1 UNL1111111111 0.1678 33 H 1.1722 2.6276 -0.9966 H 1 UNL1111111111 0.1605 34 H 3.0044 2.6952 1.5117 H 1 UNL1111111111 0.1481 35 H 5.5447 -0.2666 -0.2408 H 1 UNL1111111111 0.1537 36 H 4.5119 -0.4250 -1.6707 H 1 UNL1111111111 0.1630 37 H 0.7479 0.0304 -2.0272 H 1 UNL1111111111 0.1604 38 H 2.2462 0.9319 -2.2345 H 1 UNL1111111111 0.1592 39 H 2.2754 -0.8338 -2.2661 H 1 UNL1111111111 0.1574 40 H 5.0289 -2.6436 -0.2836 H 1 UNL1111111111 0.1497 41 H 4.1041 4.6071 0.3213 H 1 UNL1111111111 0.1492 42 H 2.9007 4.5251 -0.9757 H 1 UNL1111111111 0.1486 43 H 2.4066 4.9544 0.6654 H 1 UNL1111111111 0.1487 44 H -0.3295 -1.4584 -0.4321 H 1 UNL1111111111 0.1352 45 H 4.8146 3.2945 -1.5066 H 1 UNL1111111111 0.1530 46 H 5.3005 1.6016 -1.7647 H 1 UNL1111111111 0.1466 47 H 2.8569 -4.5094 -0.1782 H 1 UNL1111111111 0.1247 48 H -2.4018 0.0787 -0.8211 H 1 UNL1111111111 0.1865 49 H -3.7411 1.3432 1.6952 H 1 UNL1111111111 0.1727 50 H -4.1349 -1.6118 -0.4167 H 1 UNL1111111111 0.1617 51 H -6.0287 2.0829 0.7438 H 1 UNL1111111111 0.1561 52 H -6.2913 -2.4218 -1.3355 H 1 UNL1111111111 0.1546 53 H -8.1776 1.2683 -0.1893 H 1 UNL1111111111 0.1533 54 H -8.3090 -0.9804 -1.2309 H 1 UNL1111111111 0.1523 @BOND 1 1 7 1 2 1 20 1 3 2 17 2 4 3 19 2 5 4 20 2 6 5 6 1 7 5 7 1 8 5 8 1 9 5 13 1 10 6 11 1 11 6 12 1 12 6 29 1 13 7 9 1 14 7 30 1 15 8 14 1 16 8 17 1 17 8 31 1 18 9 10 1 19 9 32 1 20 9 33 1 21 10 11 1 22 10 16 1 23 10 34 1 24 11 18 2 25 12 15 1 26 12 35 1 27 12 36 1 28 13 37 1 29 13 38 1 30 13 39 1 31 14 15 2 32 14 19 1 33 15 40 1 34 16 41 1 35 16 42 1 36 16 43 1 37 17 44 1 38 18 45 1 39 18 46 1 40 19 47 1 41 20 21 1 42 21 22 2 43 21 48 1 44 22 23 1 45 22 49 1 46 23 24 ar 47 23 25 ar 48 24 26 ar 49 24 50 1 50 25 27 ar 51 25 51 1 52 26 28 ar 53 26 52 1 54 27 28 ar 55 27 53 1 56 28 54 1