@MOLECULE .alpha.-cumyl alcohol 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9581 -1.2044 0.4910 O.3 1 UNL1111111111 -0.5694 2 C -1.4792 0.0385 -0.0065 C.3 1 UNL1111111111 0.3363 3 C 0.0355 0.0355 0.0094 C.ar 1 UNL1111111111 -0.0758 4 C -1.9934 0.0772 -1.4479 C.3 1 UNL1111111111 -0.4663 5 C -2.0748 1.1583 0.8540 C.3 1 UNL1111111111 -0.5060 6 C 0.7574 1.2282 -0.0381 C.ar 1 UNL1111111111 -0.1604 7 C 0.7142 -1.1838 0.0388 C.ar 1 UNL1111111111 -0.1478 8 C 2.1506 1.2022 -0.0393 C.ar 1 UNL1111111111 -0.1477 9 C 2.1063 -1.2084 0.0404 C.ar 1 UNL1111111111 -0.1487 10 C 2.8266 -0.0156 0.0040 C.ar 1 UNL1111111111 -0.1511 11 H -3.0896 0.0528 -1.4720 H 1 UNL1111111111 0.1624 12 H -1.6499 0.9730 -1.9724 H 1 UNL1111111111 0.1516 13 H -1.6421 -0.8015 -2.0058 H 1 UNL1111111111 0.1650 14 H -3.1441 0.9760 1.0258 H 1 UNL1111111111 0.1665 15 H -1.9839 2.1354 0.3701 H 1 UNL1111111111 0.1567 16 H -1.5867 1.2216 1.8319 H 1 UNL1111111111 0.1528 17 H 0.2379 2.1830 -0.0773 H 1 UNL1111111111 0.1505 18 H 0.1508 -2.1189 0.0490 H 1 UNL1111111111 0.1682 19 H -1.7295 -1.3156 1.4329 H 1 UNL1111111111 0.3161 20 H 2.7100 2.1347 -0.0742 H 1 UNL1111111111 0.1483 21 H 2.6317 -2.1608 0.0663 H 1 UNL1111111111 0.1503 22 H 3.9141 -0.0356 0.0060 H 1 UNL1111111111 0.1486 @BOND 1 1 2 1 2 1 19 1 3 2 3 1 4 2 4 1 5 2 5 1 6 3 6 ar 7 3 7 ar 8 4 11 1 9 4 12 1 10 4 13 1 11 5 14 1 12 5 15 1 13 5 16 1 14 6 8 ar 15 6 17 1 16 7 9 ar 17 7 18 1 18 8 10 ar 19 8 20 1 20 9 10 ar 21 9 21 1 22 10 22 1