@MOLECULE s-3,7-dimethyl-1-octanol 33 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4503 1.9969 -0.6039 O.3 1 UNL1111111111 -0.5569 2 C -1.8155 -1.1778 0.4512 C.3 1 UNL1111111111 -0.0787 3 C -0.4753 -0.7318 1.0687 C.3 1 UNL1111111111 -0.2872 4 C 0.5603 -0.2795 0.0321 C.3 1 UNL1111111111 -0.2671 5 C 1.8943 0.0507 0.7134 C.3 1 UNL1111111111 -0.2919 6 C 2.9355 0.5667 -0.2984 C.3 1 UNL1111111111 -0.0582 7 C -2.4451 -0.1046 -0.4492 C.3 1 UNL1111111111 -0.3087 8 C -1.6408 -2.4750 -0.3494 C.3 1 UNL1111111111 -0.4515 9 C -2.7484 1.1795 0.3251 C.3 1 UNL1111111111 0.0049 10 C 3.4376 -0.5674 -1.1997 C.3 1 UNL1111111111 -0.4538 11 C 4.1173 1.1954 0.4525 C.3 1 UNL1111111111 -0.4580 12 H -2.5204 -1.3843 1.2963 H 1 UNL1111111111 0.1271 13 H -0.0596 -1.5690 1.6630 H 1 UNL1111111111 0.1374 14 H -0.6549 0.0843 1.7930 H 1 UNL1111111111 0.1310 15 H 0.7069 -1.0703 -0.7268 H 1 UNL1111111111 0.1397 16 H 0.1893 0.6052 -0.5187 H 1 UNL1111111111 0.1402 17 H 1.7315 0.8123 1.4990 H 1 UNL1111111111 0.1353 18 H 2.2870 -0.8406 1.2352 H 1 UNL1111111111 0.1373 19 H 2.4600 1.3504 -0.9364 H 1 UNL1111111111 0.1304 20 H -3.3841 -0.4862 -0.8991 H 1 UNL1111111111 0.1554 21 H -1.7908 0.1249 -1.3117 H 1 UNL1111111111 0.1560 22 H -2.6063 -2.8638 -0.6908 H 1 UNL1111111111 0.1426 23 H -1.1653 -3.2548 0.2547 H 1 UNL1111111111 0.1432 24 H -1.0168 -2.3208 -1.2366 H 1 UNL1111111111 0.1471 25 H -3.3955 0.9959 1.1997 H 1 UNL1111111111 0.1079 26 H -1.8300 1.7063 0.6377 H 1 UNL1111111111 0.1138 27 H 4.1677 -0.2003 -1.9287 H 1 UNL1111111111 0.1416 28 H 3.9214 -1.3581 -0.6169 H 1 UNL1111111111 0.1433 29 H 2.6163 -1.0271 -1.7598 H 1 UNL1111111111 0.1427 30 H 4.8816 1.5568 -0.2436 H 1 UNL1111111111 0.1430 31 H 3.7969 2.0477 1.0603 H 1 UNL1111111111 0.1406 32 H 4.5970 0.4724 1.1204 H 1 UNL1111111111 0.1437 33 H -3.6822 2.8510 -0.1975 H 1 UNL1111111111 0.3075 @BOND 1 1 9 1 2 1 33 1 3 2 3 1 4 2 7 1 5 2 8 1 6 2 12 1 7 3 4 1 8 3 13 1 9 3 14 1 10 4 5 1 11 4 15 1 12 4 16 1 13 5 6 1 14 5 17 1 15 5 18 1 16 6 10 1 17 6 11 1 18 6 19 1 19 7 9 1 20 7 20 1 21 7 21 1 22 8 22 1 23 8 23 1 24 8 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 10 29 1 30 11 30 1 31 11 31 1 32 11 32 1