@MOLECULE (+)-ferruginol 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1937 -2.3994 -0.0962 O.3 1 UNL1111111111 -0.4788 2 C 2.0245 0.6303 -0.2186 C.3 1 UNL1111111111 -0.1387 3 C 1.2735 -0.6066 0.3464 C.3 1 UNL1111111111 0.0739 4 C 3.5687 0.5132 -0.2948 C.3 1 UNL1111111111 0.1040 5 C 1.7311 -1.8530 -0.4439 C.3 1 UNL1111111111 -0.2871 6 C 3.9472 -0.8027 -1.0131 C.3 1 UNL1111111111 -0.2971 7 C 1.5579 1.8830 0.5334 C.3 1 UNL1111111111 -0.2775 8 C 3.2520 -2.0214 -0.4060 C.3 1 UNL1111111111 -0.2590 9 C -0.2196 -0.3751 0.1640 C.ar 1 UNL1111111111 0.0211 10 C 0.0893 2.1580 0.1927 C.3 1 UNL1111111111 -0.2690 11 C 1.4615 -0.8488 1.8540 C.3 1 UNL1111111111 -0.4536 12 C -0.7552 0.9206 0.1296 C.ar 1 UNL1111111111 -0.0619 13 C 4.2665 0.5944 1.0681 C.3 1 UNL1111111111 -0.4632 14 C 4.1082 1.6735 -1.1656 C.3 1 UNL1111111111 -0.4737 15 C -1.0831 -1.4666 0.0920 C.ar 1 UNL1111111111 -0.2603 16 C -2.1350 1.1023 0.0078 C.ar 1 UNL1111111111 -0.1296 17 C -3.0151 0.0255 -0.0747 C.ar 1 UNL1111111111 -0.1588 18 C -2.4571 -1.2561 -0.0294 C.ar 1 UNL1111111111 0.2548 19 C -4.4962 0.2373 -0.2045 C.3 1 UNL1111111111 -0.0457 20 C -4.8133 0.9992 -1.4989 C.3 1 UNL1111111111 -0.4474 21 C -5.0353 0.9925 1.0183 C.3 1 UNL1111111111 -0.4473 22 H 1.6800 0.7277 -1.2856 H 1 UNL1111111111 0.1451 23 H 1.3855 -1.7702 -1.4920 H 1 UNL1111111111 0.1439 24 H 1.2538 -2.7635 -0.0350 H 1 UNL1111111111 0.1399 25 H 5.0432 -0.9396 -0.9847 H 1 UNL1111111111 0.1330 26 H 3.6802 -0.7260 -2.0847 H 1 UNL1111111111 0.1384 27 H 2.1745 2.7599 0.2628 H 1 UNL1111111111 0.1353 28 H 1.6866 1.7546 1.6234 H 1 UNL1111111111 0.1431 29 H 3.5946 -2.1832 0.6329 H 1 UNL1111111111 0.1364 30 H 3.5417 -2.9341 -0.9610 H 1 UNL1111111111 0.1297 31 H 0.0309 2.6795 -0.7877 H 1 UNL1111111111 0.1470 32 H -0.3329 2.8670 0.9347 H 1 UNL1111111111 0.1445 33 H 1.1134 0.0057 2.4448 H 1 UNL1111111111 0.1495 34 H 0.8868 -1.7234 2.1818 H 1 UNL1111111111 0.1494 35 H 2.5099 -1.0284 2.1097 H 1 UNL1111111111 0.1480 36 H 5.3554 0.6198 0.9532 H 1 UNL1111111111 0.1407 37 H 4.0291 -0.2705 1.6973 H 1 UNL1111111111 0.1483 38 H 3.9731 1.4933 1.6188 H 1 UNL1111111111 0.1437 39 H 5.1785 1.5534 -1.3602 H 1 UNL1111111111 0.1428 40 H 3.9757 2.6412 -0.6726 H 1 UNL1111111111 0.1440 41 H 3.5995 1.7223 -2.1330 H 1 UNL1111111111 0.1436 42 H -0.7170 -2.4906 0.1353 H 1 UNL1111111111 0.1773 43 H -2.5372 2.1152 -0.0223 H 1 UNL1111111111 0.1507 44 H -5.0240 -0.7529 -0.2538 H 1 UNL1111111111 0.1156 45 H -4.1633 -2.2116 -0.1749 H 1 UNL1111111111 0.3225 46 H -4.3835 2.0069 -1.4888 H 1 UNL1111111111 0.1489 47 H -5.8930 1.1023 -1.6457 H 1 UNL1111111111 0.1427 48 H -4.4015 0.4806 -2.3726 H 1 UNL1111111111 0.1495 49 H -4.7778 0.4721 1.9483 H 1 UNL1111111111 0.1498 50 H -6.1248 1.0903 0.9771 H 1 UNL1111111111 0.1427 51 H -4.6153 2.0021 1.0859 H 1 UNL1111111111 0.1489 @BOND 1 1 18 1 2 1 45 1 3 2 3 1 4 2 4 1 5 2 7 1 6 2 22 1 7 3 5 1 8 3 9 1 9 3 11 1 10 4 6 1 11 4 13 1 12 4 14 1 13 5 8 1 14 5 23 1 15 5 24 1 16 6 8 1 17 6 25 1 18 6 26 1 19 7 10 1 20 7 27 1 21 7 28 1 22 8 29 1 23 8 30 1 24 9 12 ar 25 9 15 ar 26 10 12 1 27 10 31 1 28 10 32 1 29 11 33 1 30 11 34 1 31 11 35 1 32 12 16 ar 33 13 36 1 34 13 37 1 35 13 38 1 36 14 39 1 37 14 40 1 38 14 41 1 39 15 18 ar 40 15 42 1 41 16 17 ar 42 16 43 1 43 17 18 ar 44 17 19 1 45 19 20 1 46 19 21 1 47 19 44 1 48 20 46 1 49 20 47 1 50 20 48 1 51 21 49 1 52 21 50 1 53 21 51 1