@MOLECULE (4as,6as,7r,11ar,11bs)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,7,8,11,11a,11b-dodecahydro-6ah-cyclohepta[a]naphthalene-6a,9-dicarbaldehyde 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4840 -2.4129 0.6154 O.3 1 UNL1111111111 -0.5663 2 O -0.1487 -2.6250 -1.6414 O.2 1 UNL1111111111 -0.4383 3 O -5.4560 1.0183 1.0524 O.2 1 UNL1111111111 -0.4312 4 C 1.2392 0.6474 -0.4544 C.3 1 UNL1111111111 0.0784 5 C 2.0050 -0.1372 0.6490 C.3 1 UNL1111111111 -0.1460 6 C -0.2933 0.5146 -0.1281 C.3 1 UNL1111111111 -0.1272 7 C -0.7784 -0.9548 -0.0335 C.3 1 UNL1111111111 -0.0998 8 C 3.5455 0.0558 0.6647 C.3 1 UNL1111111111 0.1071 9 C 1.6014 -1.6149 0.6090 C.3 1 UNL1111111111 -0.2847 10 C 1.6336 2.1426 -0.3225 C.3 1 UNL1111111111 -0.2992 11 C 0.1158 -1.7532 0.9378 C.3 1 UNL1111111111 -0.2635 12 C 3.8650 1.5686 0.7027 C.3 1 UNL1111111111 -0.2988 13 C 3.1495 2.3478 -0.4007 C.3 1 UNL1111111111 -0.2609 14 C 1.5230 0.1688 -1.8789 C.3 1 UNL1111111111 -0.4732 15 C -1.1470 1.3559 -1.1070 C.3 1 UNL1111111111 -0.3093 16 C -2.2167 -1.0202 0.5682 C.3 1 UNL1111111111 0.1533 17 C 4.1061 -0.5539 1.9728 C.3 1 UNL1111111111 -0.4725 18 C 4.2721 -0.6149 -0.5062 C.3 1 UNL1111111111 -0.4632 19 C -0.8128 -1.6545 -1.3843 C.2 1 UNL1111111111 0.3655 20 C -3.3489 -0.3478 -0.2300 C.3 1 UNL1111111111 -0.3298 21 C -2.3445 1.9087 -0.4109 C.2 1 UNL1111111111 -0.0836 22 C -3.3540 1.1242 -0.0090 C.2 1 UNL1111111111 -0.1634 23 C -4.5289 1.7000 0.6816 C.2 1 UNL1111111111 0.3295 24 H 1.6474 0.2824 1.6283 H 1 UNL1111111111 0.1339 25 H -0.4257 0.9516 0.8969 H 1 UNL1111111111 0.1452 26 H 2.1947 -2.2047 1.3322 H 1 UNL1111111111 0.1404 27 H 1.8180 -2.0638 -0.3807 H 1 UNL1111111111 0.1621 28 H 1.2576 2.5444 0.6364 H 1 UNL1111111111 0.1350 29 H 1.1484 2.7389 -1.1172 H 1 UNL1111111111 0.1311 30 H -0.1754 -2.8271 0.8938 H 1 UNL1111111111 0.1752 31 H -0.0713 -1.4333 1.9791 H 1 UNL1111111111 0.1331 32 H 4.9571 1.7184 0.6208 H 1 UNL1111111111 0.1364 33 H 3.5768 1.9803 1.6882 H 1 UNL1111111111 0.1357 34 H 3.5299 2.0426 -1.3937 H 1 UNL1111111111 0.1386 35 H 3.3849 3.4255 -0.3119 H 1 UNL1111111111 0.1285 36 H 0.7724 0.5162 -2.5931 H 1 UNL1111111111 0.1380 37 H 2.4922 0.5313 -2.2417 H 1 UNL1111111111 0.1524 38 H 1.5611 -0.9273 -1.9406 H 1 UNL1111111111 0.1686 39 H -1.4541 0.7521 -1.9857 H 1 UNL1111111111 0.1584 40 H -0.5409 2.1772 -1.5415 H 1 UNL1111111111 0.1571 41 H -2.2045 -0.6301 1.6120 H 1 UNL1111111111 0.1243 42 H 5.1609 -0.2946 2.1064 H 1 UNL1111111111 0.1429 43 H 3.5630 -0.1957 2.8519 H 1 UNL1111111111 0.1411 44 H 4.0415 -1.6470 1.9649 H 1 UNL1111111111 0.1494 45 H 4.0657 -0.1144 -1.4569 H 1 UNL1111111111 0.1463 46 H 5.3580 -0.5945 -0.3616 H 1 UNL1111111111 0.1421 47 H 3.9743 -1.6632 -0.6170 H 1 UNL1111111111 0.1508 48 H -1.4946 -1.2442 -2.1405 H 1 UNL1111111111 0.0970 49 H -4.3224 -0.7952 0.0805 H 1 UNL1111111111 0.1780 50 H -3.2751 -0.5884 -1.3092 H 1 UNL1111111111 0.1615 51 H -2.3407 2.9856 -0.2460 H 1 UNL1111111111 0.1447 52 H -3.3527 -2.5898 1.0236 H 1 UNL1111111111 0.3219 53 H -4.5397 2.7852 0.8534 H 1 UNL1111111111 0.1075 @BOND 1 1 16 1 2 1 52 1 3 2 19 2 4 3 23 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 14 1 9 5 8 1 10 5 9 1 11 5 24 1 12 6 7 1 13 6 15 1 14 6 25 1 15 7 11 1 16 7 16 1 17 7 19 1 18 8 12 1 19 8 17 1 20 8 18 1 21 9 11 1 22 9 26 1 23 9 27 1 24 10 13 1 25 10 28 1 26 10 29 1 27 11 30 1 28 11 31 1 29 12 13 1 30 12 32 1 31 12 33 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 14 38 1 37 15 21 1 38 15 39 1 39 15 40 1 40 16 20 1 41 16 41 1 42 17 42 1 43 17 43 1 44 17 44 1 45 18 45 1 46 18 46 1 47 18 47 1 48 19 48 1 49 20 22 1 50 20 49 1 51 20 50 1 52 21 22 2 53 21 51 1 54 22 23 1 55 23 53 1