@MOLECULE (3br,9bs)-6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1356 0.8935 0.4950 O.3 1 UNL1111111111 -0.3898 2 O 1.1756 3.0244 -0.3017 O.2 1 UNL1111111111 -0.5285 3 O 3.4640 1.8915 0.0566 O.3 1 UNL1111111111 -0.4763 4 O -5.9186 -1.1804 0.1782 O.2 1 UNL1111111111 -0.4194 5 C -0.7381 -0.6381 -0.4448 C.3 1 UNL1111111111 0.0629 6 C -1.3772 0.5623 0.3259 C.3 1 UNL1111111111 -0.1202 7 C -1.3566 -1.9452 0.1092 C.3 1 UNL1111111111 -0.2812 8 C -2.8500 0.4413 0.3176 C.2 1 UNL1111111111 -0.0129 9 C 0.7606 -0.5719 -0.2253 C.ar 1 UNL1111111111 0.1014 10 C -0.8793 1.8894 -0.2383 C.3 1 UNL1111111111 -0.3783 11 C -2.8797 -2.0283 -0.1140 C.3 1 UNL1111111111 -0.2450 12 C -3.5074 -0.7226 0.1502 C.2 1 UNL1111111111 -0.1658 13 C -0.9733 -0.5533 -1.9596 C.3 1 UNL1111111111 -0.4528 14 C 1.3879 0.6918 -0.1504 C.ar 1 UNL1111111111 -0.3790 15 C 0.6261 1.9354 -0.2374 C.2 1 UNL1111111111 0.5305 16 C -3.8497 1.5398 0.5496 C.3 1 UNL1111111111 -0.0645 17 C 1.5263 -1.7212 -0.1431 C.ar 1 UNL1111111111 -0.2836 18 C -4.9616 -0.4696 0.2566 C.2 1 UNL1111111111 0.5718 19 C 2.7846 0.7401 0.0088 C.ar 1 UNL1111111111 0.3751 20 C 3.5663 -0.4334 0.1335 C.ar 1 UNL1111111111 -0.1410 21 C 2.9157 -1.6486 0.0449 C.ar 1 UNL1111111111 -0.0435 22 C 5.0497 -0.3370 0.3537 C.3 1 UNL1111111111 -0.0504 23 C 5.4279 -1.0027 1.6844 C.3 1 UNL1111111111 -0.4487 24 C 5.8060 -0.9855 -0.8136 C.3 1 UNL1111111111 -0.4476 25 H -1.0371 0.4848 1.4002 H 1 UNL1111111111 0.1720 26 H -0.8799 -2.8235 -0.3654 H 1 UNL1111111111 0.1469 27 H -1.1347 -2.0242 1.1909 H 1 UNL1111111111 0.1493 28 H -1.2475 2.0545 -1.2745 H 1 UNL1111111111 0.1865 29 H -1.2767 2.7487 0.3435 H 1 UNL1111111111 0.1809 30 H -3.1010 -2.3559 -1.1547 H 1 UNL1111111111 0.1622 31 H -3.3163 -2.8202 0.5327 H 1 UNL1111111111 0.1630 32 H -0.6547 -1.4766 -2.4590 H 1 UNL1111111111 0.1548 33 H -0.4074 0.2650 -2.4197 H 1 UNL1111111111 0.1527 34 H -2.0327 -0.3996 -2.1945 H 1 UNL1111111111 0.1591 35 H -3.7819 2.0069 1.5475 H 1 UNL1111111111 0.1625 36 H -3.8616 2.3130 -0.2379 H 1 UNL1111111111 0.1618 37 H 1.0709 -2.7051 -0.2247 H 1 UNL1111111111 0.1627 38 H 3.4869 -2.5767 0.1202 H 1 UNL1111111111 0.1555 39 H 5.3550 0.7427 0.4071 H 1 UNL1111111111 0.1623 40 H 2.8476 2.6946 -0.0756 H 1 UNL1111111111 0.3821 41 H 6.4942 -0.8730 1.8991 H 1 UNL1111111111 0.1464 42 H 4.8664 -0.5632 2.5170 H 1 UNL1111111111 0.1485 43 H 5.2212 -2.0771 1.6771 H 1 UNL1111111111 0.1408 44 H 5.5225 -0.5268 -1.7683 H 1 UNL1111111111 0.1499 45 H 6.8883 -0.8617 -0.6966 H 1 UNL1111111111 0.1461 46 H 5.6019 -2.0578 -0.8876 H 1 UNL1111111111 0.1407 @BOND 1 1 16 1 2 1 18 1 3 2 15 2 4 3 19 1 5 3 40 1 6 4 18 2 7 5 6 1 8 5 7 1 9 5 9 1 10 5 13 1 11 6 8 1 12 6 10 1 13 6 25 1 14 7 11 1 15 7 26 1 16 7 27 1 17 8 12 2 18 8 16 1 19 9 14 ar 20 9 17 ar 21 10 15 1 22 10 28 1 23 10 29 1 24 11 12 1 25 11 30 1 26 11 31 1 27 12 18 1 28 13 32 1 29 13 33 1 30 13 34 1 31 14 15 1 32 14 19 ar 33 16 35 1 34 16 36 1 35 17 21 ar 36 17 37 1 37 19 20 ar 38 20 21 ar 39 20 22 1 40 21 38 1 41 22 23 1 42 22 24 1 43 22 39 1 44 23 41 1 45 23 42 1 46 23 43 1 47 24 44 1 48 24 45 1 49 24 46 1