@MOLECULE (2r)-2-ethyl-1-hexanol 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0705 -0.4044 0.2868 C.3 1 UNL11111111 -0.2503 2 C -1.7201 0.0701 -0.2673 C.3 1 UNL11111111 -0.2683 3 C -0.5627 -0.6494 0.4371 C.3 1 UNL11111111 -0.2913 4 C 0.8046 -0.1543 -0.0716 C.3 1 UNL11111111 -0.1570 5 C 1.8815 -1.1935 0.2881 C.3 1 UNL11111111 -0.0096 6 O 3.0540 -1.0335 -0.4857 O.3 1 UNL11111111 -0.5514 7 C -4.2260 0.3182 -0.4054 C.3 1 UNL11111111 -0.4405 8 H -3.1731 -1.4975 0.1510 H 1 UNL11111111 0.1335 9 H -3.1150 -0.2286 1.3782 H 1 UNL11111111 0.1341 10 H -1.6266 1.1650 -0.1386 H 1 UNL11111111 0.1392 11 H -1.6740 -0.1093 -1.3573 H 1 UNL11111111 0.1366 12 H -0.6602 -1.7397 0.2721 H 1 UNL11111111 0.1380 13 H -0.6339 -0.5051 1.5313 H 1 UNL11111111 0.1418 14 C 1.1347 1.2209 0.5360 C.3 1 UNL11111111 -0.2524 15 H 0.7636 -0.0553 -1.1825 H 1 UNL11111111 0.1395 16 H 1.5235 -2.2290 0.1413 H 1 UNL11111111 0.1127 17 H 2.2535 -1.0778 1.3223 H 1 UNL11111111 0.1420 18 H 2.8374 -0.9431 -1.4327 H 1 UNL11111111 0.3098 19 H -5.1939 -0.0166 -0.0164 H 1 UNL11111111 0.1405 20 H -4.1684 1.4022 -0.2555 H 1 UNL11111111 0.1433 21 H -4.2247 0.1337 -1.4855 H 1 UNL11111111 0.1427 22 H 1.3381 1.1174 1.6187 H 1 UNL11111111 0.1355 23 C 2.3263 1.8797 -0.1569 C.3 1 UNL11111111 -0.4443 24 H 0.2511 1.8844 0.4613 H 1 UNL11111111 0.1339 25 H 2.5614 2.8495 0.2936 H 1 UNL11111111 0.1383 26 H 3.2271 1.2533 -0.0766 H 1 UNL11111111 0.1664 27 H 2.1358 2.0448 -1.2218 H 1 UNL11111111 0.1373 @BOND 1 21 7 1 2 18 6 1 3 11 2 1 4 27 23 1 5 15 4 1 6 6 5 1 7 7 20 1 8 7 19 1 9 7 1 1 10 2 10 1 11 2 1 1 12 2 3 1 13 23 26 1 14 23 25 1 15 23 14 1 16 4 5 1 17 4 3 1 18 4 14 1 19 16 5 1 20 8 1 1 21 12 3 1 22 1 9 1 23 5 17 1 24 3 13 1 25 24 14 1 26 14 22 1