@MOLECULE (4s,5s,6r)-5,6-dihydroxy-4-isopropyl-6-methyl-3,4,5,6,7,8-hexahydro-1(2h)-naphthalenone 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8238 0.0412 1.2088 O.3 1 UNL1111111111 -0.5706 2 O -0.9275 1.9113 1.1145 O.3 1 UNL1111111111 -0.5440 3 O 0.9449 -3.3811 -0.3883 O.2 1 UNL1111111111 -0.4583 4 C 1.4491 0.5932 0.5057 C.3 1 UNL1111111111 -0.1350 5 C 0.1112 0.0284 0.1125 C.2 1 UNL1111111111 0.0120 6 C -2.4210 0.4151 -0.0966 C.3 1 UNL1111111111 0.2821 7 C -1.0009 1.0446 0.0008 C.3 1 UNL1111111111 0.0558 8 C -0.1022 -1.2789 -0.1029 C.2 1 UNL1111111111 -0.2006 9 C -2.3964 -0.8023 -1.0255 C.3 1 UNL1111111111 -0.3374 10 C 2.5818 -0.4483 0.4427 C.3 1 UNL1111111111 -0.2638 11 C -1.4131 -1.8599 -0.5182 C.3 1 UNL1111111111 -0.2602 12 C 1.8125 1.8464 -0.3384 C.3 1 UNL1111111111 -0.0673 13 C 2.1290 -1.8156 0.9497 C.3 1 UNL1111111111 -0.3840 14 C 0.9778 -2.2738 0.0906 C.2 1 UNL1111111111 0.4830 15 C -3.4496 1.4583 -0.5198 C.3 1 UNL1111111111 -0.4765 16 C 3.1273 2.4694 0.1461 C.3 1 UNL1111111111 -0.4525 17 C 1.8966 1.5334 -1.8357 C.3 1 UNL1111111111 -0.4562 18 H 1.3442 0.9366 1.5739 H 1 UNL1111111111 0.1668 19 H -0.8232 1.7186 -0.8737 H 1 UNL1111111111 0.1590 20 H -2.1254 -0.4887 -2.0513 H 1 UNL1111111111 0.1553 21 H -3.4138 -1.2345 -1.1004 H 1 UNL1111111111 0.1605 22 H 3.4473 -0.0938 1.0342 H 1 UNL1111111111 0.1462 23 H 2.9505 -0.5447 -0.5986 H 1 UNL1111111111 0.1511 24 H -1.2454 -2.6315 -1.3072 H 1 UNL1111111111 0.1773 25 H -1.8558 -2.4322 0.3262 H 1 UNL1111111111 0.1508 26 H 1.0044 2.6075 -0.1753 H 1 UNL1111111111 0.1504 27 H 1.8169 -1.7696 2.0109 H 1 UNL1111111111 0.1683 28 H 2.9598 -2.5481 0.9122 H 1 UNL1111111111 0.1717 29 H -4.4703 1.0785 -0.3758 H 1 UNL1111111111 0.1657 30 H -3.3620 2.3660 0.0951 H 1 UNL1111111111 0.1696 31 H -3.3349 1.7464 -1.5683 H 1 UNL1111111111 0.1520 32 H 3.9905 1.8318 -0.0684 H 1 UNL1111111111 0.1434 33 H 3.3056 3.4315 -0.3479 H 1 UNL1111111111 0.1438 34 H 3.1068 2.6563 1.2253 H 1 UNL1111111111 0.1445 35 H 2.7909 0.9505 -2.0818 H 1 UNL1111111111 0.1467 36 H 1.9338 2.4547 -2.4273 H 1 UNL1111111111 0.1437 37 H 1.0330 0.9535 -2.1788 H 1 UNL1111111111 0.1449 38 H -2.3232 -0.7400 1.5224 H 1 UNL1111111111 0.3250 39 H -1.5298 1.5857 1.8266 H 1 UNL1111111111 0.3367 @BOND 1 1 6 1 2 1 38 1 3 2 7 1 4 2 39 1 5 3 14 2 6 4 5 1 7 4 10 1 8 4 12 1 9 4 18 1 10 5 7 1 11 5 8 2 12 6 7 1 13 6 9 1 14 6 15 1 15 7 19 1 16 8 11 1 17 8 14 1 18 9 11 1 19 9 20 1 20 9 21 1 21 10 13 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 16 1 27 12 17 1 28 12 26 1 29 13 14 1 30 13 27 1 31 13 28 1 32 15 29 1 33 15 30 1 34 15 31 1 35 16 32 1 36 16 33 1 37 16 34 1 38 17 35 1 39 17 36 1 40 17 37 1