@MOLECULE 3,7-dimethyl-1,2-octanediol 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.4955 1.3391 0.9199 O.3 1 UNL11111111 -0.5624 2 O 4.3427 0.3977 -0.9575 O.3 1 UNL11111111 -0.5478 3 C 1.0901 -0.5429 0.7603 C.3 1 UNL11111111 -0.1127 4 C 0.1266 0.0839 -0.2595 C.3 1 UNL11111111 -0.2835 5 C -1.3354 -0.0856 0.1744 C.3 1 UNL11111111 -0.2637 6 C -2.2757 0.5623 -0.8489 C.3 1 UNL11111111 -0.2869 7 C 2.5313 -0.0308 0.5589 C.3 1 UNL11111111 0.0936 8 C -3.7694 0.3989 -0.5047 C.3 1 UNL11111111 -0.0610 9 C 1.0700 -2.0715 0.6960 C.3 1 UNL11111111 -0.4565 10 C 3.0502 -0.1712 -0.8811 C.3 1 UNL11111111 -0.0660 11 C -4.1859 -1.0767 -0.4947 C.3 1 UNL11111111 -0.4542 12 C -4.1117 1.0575 0.8366 C.3 1 UNL11111111 -0.4523 13 H 0.7750 -0.2132 1.7853 H 1 UNL11111111 0.1573 14 H 0.2759 -0.3587 -1.2598 H 1 UNL11111111 0.1319 15 H 0.3590 1.1655 -0.3559 H 1 UNL11111111 0.1574 16 H -1.4871 0.3705 1.1709 H 1 UNL11111111 0.1400 17 H -1.5784 -1.1575 0.2881 H 1 UNL11111111 0.1347 18 H -2.0402 1.6409 -0.9341 H 1 UNL11111111 0.1380 19 H -2.0868 0.1317 -1.8506 H 1 UNL11111111 0.1334 20 H 3.2263 -0.5240 1.2770 H 1 UNL11111111 0.1174 21 H -4.3539 0.9186 -1.3062 H 1 UNL11111111 0.1247 22 H 1.3312 -2.4440 -0.2997 H 1 UNL11111111 0.1429 23 H 0.0705 -2.4592 0.9298 H 1 UNL11111111 0.1516 24 H 1.7639 -2.5168 1.4170 H 1 UNL11111111 0.1427 25 H 2.4732 0.4477 -1.5953 H 1 UNL11111111 0.1587 26 H 3.0697 -1.2157 -1.2277 H 1 UNL11111111 0.1246 27 H -3.7070 -1.6262 0.3225 H 1 UNL11111111 0.1439 28 H -3.9132 -1.5735 -1.4315 H 1 UNL11111111 0.1405 29 H -5.2687 -1.1798 -0.3663 H 1 UNL11111111 0.1412 30 H -3.6444 0.5316 1.6759 H 1 UNL11111111 0.1454 31 H -3.7697 2.0977 0.8676 H 1 UNL11111111 0.1441 32 H -5.1925 1.0571 1.0122 H 1 UNL11111111 0.1396 33 H 3.2279 1.8211 0.4774 H 1 UNL11111111 0.3313 34 H 4.9879 -0.1249 -0.4423 H 1 UNL11111111 0.3120 @BOND 1 19 6 1 2 25 10 1 3 28 11 1 4 21 8 1 5 14 4 1 6 26 10 1 7 2 10 1 8 2 34 1 9 18 6 1 10 10 7 1 11 6 8 1 12 6 5 1 13 8 11 1 14 8 12 1 15 11 29 1 16 11 27 1 17 15 4 1 18 22 9 1 19 4 5 1 20 4 3 1 21 5 17 1 22 5 16 1 23 33 1 1 24 7 3 1 25 7 1 1 26 7 20 1 27 9 3 1 28 9 23 1 29 9 24 1 30 3 13 1 31 12 31 1 32 12 32 1 33 12 30 1