@MOLECULE (r)-2-ethylhexanoic acid 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1034 1.7637 -0.8965 O.3 1 UNL1111111111 -0.5735 2 O -1.2547 1.3607 1.2856 O.2 1 UNL1111111111 -0.5125 3 C -0.7954 -0.4837 -0.2615 C.3 1 UNL1111111111 -0.1801 4 C 0.5508 -0.9167 0.3412 C.3 1 UNL1111111111 -0.2804 5 C 1.7189 -0.1744 -0.3187 C.3 1 UNL1111111111 -0.2738 6 C -1.9384 -1.3845 0.2361 C.3 1 UNL1111111111 -0.2530 7 C 3.0483 -0.5636 0.3404 C.3 1 UNL1111111111 -0.2475 8 C -1.0749 0.9286 0.1783 C.2 1 UNL1111111111 0.6418 9 C -3.2389 -1.1004 -0.5119 C.3 1 UNL1111111111 -0.4421 10 C 4.2142 0.1781 -0.3134 C.3 1 UNL1111111111 -0.4396 11 H -0.7394 -0.5340 -1.3792 H 1 UNL1111111111 0.1770 12 H 0.6818 -2.0085 0.2146 H 1 UNL1111111111 0.1469 13 H 0.5519 -0.7381 1.4358 H 1 UNL1111111111 0.1576 14 H 1.5691 0.9204 -0.2454 H 1 UNL1111111111 0.1453 15 H 1.7525 -0.3983 -1.4015 H 1 UNL1111111111 0.1406 16 H -1.6551 -2.4473 0.1074 H 1 UNL1111111111 0.1441 17 H -2.0859 -1.2411 1.3266 H 1 UNL1111111111 0.1561 18 H 3.0157 -0.3343 1.4230 H 1 UNL1111111111 0.1374 19 H 3.2055 -1.6557 0.2651 H 1 UNL1111111111 0.1322 20 H -3.1314 -1.2632 -1.5905 H 1 UNL1111111111 0.1467 21 H -4.0481 -1.7511 -0.1601 H 1 UNL1111111111 0.1466 22 H -3.5709 -0.0647 -0.3683 H 1 UNL1111111111 0.1509 23 H 5.1682 -0.0910 0.1531 H 1 UNL1111111111 0.1404 24 H 4.0993 1.2644 -0.2225 H 1 UNL1111111111 0.1453 25 H 4.2920 -0.0566 -1.3807 H 1 UNL1111111111 0.1419 26 H -1.2805 2.7067 -0.6657 H 1 UNL1111111111 0.3518 @BOND 1 1 8 1 2 1 26 1 3 2 8 2 4 3 4 1 5 3 6 1 6 3 8 1 7 3 11 1 8 4 5 1 9 4 12 1 10 4 13 1 11 5 7 1 12 5 14 1 13 5 15 1 14 6 9 1 15 6 16 1 16 6 17 1 17 7 10 1 18 7 18 1 19 7 19 1 20 9 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 10 25 1