@MOLECULE (4ar,4bs,6as,7s,10br,11r)-7-hydroxy-6a,11-dimethyl-4,4a,4b,5,6,6a,7,10,10a,10b,11,12-dodecahydro-2(3h)-chrysenone 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6155 1.7731 0.4071 O.3 1 UNL1111111111 -0.5522 2 O 5.9075 0.1300 0.5528 O.2 1 UNL1111111111 -0.4673 3 C -0.3225 -0.6314 -0.4070 C.3 1 UNL1111111111 -0.1446 4 C -1.7442 -0.6402 0.1970 C.3 1 UNL1111111111 -0.1282 5 C 0.4846 0.5626 0.1449 C.3 1 UNL1111111111 -0.1105 6 C -2.4893 0.6853 -0.1034 C.3 1 UNL1111111111 0.0247 7 C 0.4272 -1.9546 -0.1368 C.3 1 UNL1111111111 -0.0838 8 C 1.9097 0.6175 -0.4627 C.3 1 UNL1111111111 -0.1563 9 C -0.2533 1.8772 -0.1667 C.3 1 UNL1111111111 -0.2840 10 C -1.6596 1.8642 0.4331 C.3 1 UNL1111111111 -0.2895 11 C -2.5607 -1.8440 -0.3123 C.3 1 UNL1111111111 -0.2973 12 C -3.8271 0.6388 0.6915 C.3 1 UNL1111111111 0.1271 13 C 1.7830 -1.9016 -0.8632 C.3 1 UNL1111111111 -0.3241 14 C 2.5977 -0.7194 -0.4449 C.2 1 UNL1111111111 0.1290 15 C -2.7819 0.8724 -1.5961 C.3 1 UNL1111111111 -0.4574 16 C 2.7360 1.6760 0.2978 C.3 1 UNL1111111111 -0.2630 17 C 0.6350 -2.2515 1.3499 C.3 1 UNL1111111111 -0.4515 18 C -4.0163 -1.7426 0.0081 C.2 1 UNL1111111111 -0.1304 19 C -4.5979 -0.6201 0.4354 C.2 1 UNL1111111111 -0.2431 20 C 4.2062 1.6464 -0.1113 C.3 1 UNL1111111111 -0.3849 21 C 3.9009 -0.8644 -0.1574 C.2 1 UNL1111111111 -0.3835 22 C 4.7789 0.2720 0.1474 C.2 1 UNL1111111111 0.4958 23 H -0.4140 -0.5146 -1.5141 H 1 UNL1111111111 0.1382 24 H -1.6511 -0.7281 1.3083 H 1 UNL1111111111 0.1435 25 H 0.5703 0.4501 1.2520 H 1 UNL1111111111 0.1462 26 H -0.1632 -2.7936 -0.5823 H 1 UNL1111111111 0.1317 27 H 1.8272 0.9274 -1.5366 H 1 UNL1111111111 0.1553 28 H -0.3051 2.0382 -1.2591 H 1 UNL1111111111 0.1395 29 H 0.3074 2.7404 0.2396 H 1 UNL1111111111 0.1389 30 H -1.5946 1.8132 1.5370 H 1 UNL1111111111 0.1408 31 H -2.1835 2.8159 0.2150 H 1 UNL1111111111 0.1543 32 H -2.1492 -2.7792 0.1225 H 1 UNL1111111111 0.1503 33 H -2.4388 -1.9454 -1.4121 H 1 UNL1111111111 0.1537 34 H 1.6205 -1.8565 -1.9618 H 1 UNL1111111111 0.1561 35 H 2.3308 -2.8509 -0.6908 H 1 UNL1111111111 0.1585 36 H -3.6425 0.7644 1.7883 H 1 UNL1111111111 0.1488 37 H -3.5153 0.1423 -1.9568 H 1 UNL1111111111 0.1487 38 H -3.1712 1.8760 -1.8033 H 1 UNL1111111111 0.1460 39 H -1.8770 0.7508 -2.2017 H 1 UNL1111111111 0.1489 40 H 2.6494 1.5037 1.3894 H 1 UNL1111111111 0.1490 41 H 2.3192 2.6853 0.1170 H 1 UNL1111111111 0.1442 42 H -0.3135 -2.2657 1.8970 H 1 UNL1111111111 0.1454 43 H 1.1120 -3.2278 1.4949 H 1 UNL1111111111 0.1467 44 H 1.2823 -1.5046 1.8259 H 1 UNL1111111111 0.1545 45 H -4.5837 -2.6588 -0.1500 H 1 UNL1111111111 0.1431 46 H -5.6628 -0.5504 0.6479 H 1 UNL1111111111 0.1602 47 H 4.7861 2.4134 0.4406 H 1 UNL1111111111 0.1719 48 H 4.3306 1.8958 -1.1836 H 1 UNL1111111111 0.1670 49 H 4.3930 -1.8353 -0.1410 H 1 UNL1111111111 0.1785 50 H -4.9176 1.7669 -0.5239 H 1 UNL1111111111 0.3149 @BOND 1 1 12 1 2 1 50 1 3 2 22 2 4 3 4 1 5 3 5 1 6 3 7 1 7 3 23 1 8 4 6 1 9 4 11 1 10 4 24 1 11 5 8 1 12 5 9 1 13 5 25 1 14 6 10 1 15 6 12 1 16 6 15 1 17 7 13 1 18 7 17 1 19 7 26 1 20 8 14 1 21 8 16 1 22 8 27 1 23 9 10 1 24 9 28 1 25 9 29 1 26 10 30 1 27 10 31 1 28 11 18 1 29 11 32 1 30 11 33 1 31 12 19 1 32 12 36 1 33 13 14 1 34 13 34 1 35 13 35 1 36 14 21 2 37 15 37 1 38 15 38 1 39 15 39 1 40 16 20 1 41 16 40 1 42 16 41 1 43 17 42 1 44 17 43 1 45 17 44 1 46 18 19 2 47 18 45 1 48 19 46 1 49 20 22 1 50 20 47 1 51 20 48 1 52 21 22 1 53 21 49 1