@MOLECULE (-)-patchoulol 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5116 0.0701 1.8671 O.3 1 UNL1111111111 -0.5799 2 C 0.1118 1.1371 0.3992 C.3 1 UNL1111111111 0.0097 3 C -0.5285 -0.2034 0.8767 C.3 1 UNL1111111111 0.2807 4 C 1.2261 0.7485 -0.6058 C.3 1 UNL1111111111 -0.1234 5 C -1.3292 -0.8581 -0.3017 C.3 1 UNL1111111111 0.0701 6 C -0.9304 -0.1220 -1.6142 C.3 1 UNL1111111111 -0.1189 7 C 0.6008 -0.0602 -1.7660 C.3 1 UNL1111111111 -0.2918 8 C -0.9527 2.0054 -0.3096 C.3 1 UNL1111111111 -0.2812 9 C -1.4397 1.3289 -1.5981 C.3 1 UNL1111111111 -0.2771 10 C 2.3409 -0.0377 0.1172 C.3 1 UNL1111111111 -0.0973 11 C 0.5313 -1.0942 1.5652 C.3 1 UNL1111111111 -0.3325 12 C 1.7928 -1.3347 0.7327 C.3 1 UNL1111111111 -0.2737 13 C 0.6623 1.9673 1.5675 C.3 1 UNL1111111111 -0.4711 14 C -1.0647 -2.3631 -0.4682 C.3 1 UNL1111111111 -0.4644 15 C -2.8446 -0.7185 -0.0595 C.3 1 UNL1111111111 -0.4424 16 C 3.5025 -0.3471 -0.8344 C.3 1 UNL1111111111 -0.4550 17 H 1.6674 1.6840 -1.0191 H 1 UNL1111111111 0.1324 18 H -1.3699 -0.6651 -2.4785 H 1 UNL1111111111 0.1305 19 H 1.0163 -1.0822 -1.8117 H 1 UNL1111111111 0.1408 20 H 0.8626 0.4059 -2.7318 H 1 UNL1111111111 0.1319 21 H -0.5404 3.0039 -0.5324 H 1 UNL1111111111 0.1321 22 H -1.8024 2.1650 0.3819 H 1 UNL1111111111 0.1481 23 H -2.5401 1.3610 -1.6692 H 1 UNL1111111111 0.1371 24 H -1.0674 1.8679 -2.4872 H 1 UNL1111111111 0.1317 25 H 2.7397 0.6034 0.9420 H 1 UNL1111111111 0.1333 26 H 0.0666 -2.0593 1.8430 H 1 UNL1111111111 0.1519 27 H 0.8106 -0.6288 2.5311 H 1 UNL1111111111 0.1374 28 H 2.5698 -1.8032 1.3665 H 1 UNL1111111111 0.1337 29 H 1.5858 -2.0722 -0.0671 H 1 UNL1111111111 0.1411 30 H 1.3202 1.3858 2.2212 H 1 UNL1111111111 0.1476 31 H 1.2450 2.8197 1.1979 H 1 UNL1111111111 0.1504 32 H -0.1473 2.3742 2.1846 H 1 UNL1111111111 0.1458 33 H -1.6904 -2.7805 -1.2655 H 1 UNL1111111111 0.1447 34 H -0.0245 -2.5797 -0.7282 H 1 UNL1111111111 0.1437 35 H -1.3036 -2.9099 0.4510 H 1 UNL1111111111 0.1497 36 H -3.1263 0.3128 0.1847 H 1 UNL1111111111 0.1575 37 H -3.4186 -1.0349 -0.9333 H 1 UNL1111111111 0.1330 38 H -3.1567 -1.3258 0.7997 H 1 UNL1111111111 0.1552 39 H -1.1294 0.5485 2.6224 H 1 UNL1111111111 0.3089 40 H 3.1940 -0.9957 -1.6608 H 1 UNL1111111111 0.1451 41 H 3.9081 0.5707 -1.2736 H 1 UNL1111111111 0.1427 42 H 4.3200 -0.8514 -0.3082 H 1 UNL1111111111 0.1417 @BOND 1 1 3 1 2 1 39 1 3 2 3 1 4 2 4 1 5 2 8 1 6 2 13 1 7 3 5 1 8 3 11 1 9 4 7 1 10 4 10 1 11 4 17 1 12 5 6 1 13 5 14 1 14 5 15 1 15 6 7 1 16 6 9 1 17 6 18 1 18 7 19 1 19 7 20 1 20 8 9 1 21 8 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 12 1 26 10 16 1 27 10 25 1 28 11 12 1 29 11 26 1 30 11 27 1 31 12 28 1 32 12 29 1 33 13 30 1 34 13 31 1 35 13 32 1 36 14 33 1 37 14 34 1 38 14 35 1 39 15 36 1 40 15 37 1 41 15 38 1 42 16 40 1 43 16 41 1 44 16 42 1