@MOLECULE 2,4-dimethyltetradecanoic acid 50 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0617 -1.6498 1.5037 O.3 1 UNL1111111111 -0.5736 2 O -3.4294 -2.3341 0.1559 O.2 1 UNL1111111111 -0.5107 3 C -3.3731 1.3367 0.2839 C.3 1 UNL1111111111 -0.0831 4 C -1.9599 1.9083 0.0592 C.3 1 UNL1111111111 -0.2891 5 C -0.8795 0.8522 0.3230 C.3 1 UNL1111111111 -0.2745 6 C -3.7886 0.4616 -0.9145 C.3 1 UNL1111111111 -0.2932 7 C 0.5113 1.4027 -0.0156 C.3 1 UNL1111111111 -0.2707 8 C 1.5884 0.3433 0.2501 C.3 1 UNL1111111111 -0.2705 9 C -4.9166 -0.5167 -0.5537 C.3 1 UNL1111111111 -0.1563 10 C 2.9807 0.8859 -0.0958 C.3 1 UNL1111111111 -0.2733 11 C -4.3710 2.4841 0.4813 C.3 1 UNL1111111111 -0.4556 12 C 4.0557 -0.1772 0.1636 C.3 1 UNL1111111111 -0.2716 13 C 5.4481 0.3629 -0.1861 C.3 1 UNL1111111111 -0.2754 14 C -5.4795 -1.1970 -1.8022 C.3 1 UNL1111111111 -0.4435 15 C 6.5234 -0.6983 0.0790 C.3 1 UNL1111111111 -0.2719 16 C -4.3540 -1.5892 0.3426 C.2 1 UNL1111111111 0.6369 17 C 7.9172 -0.1610 -0.2722 C.3 1 UNL1111111111 -0.2513 18 C 8.9907 -1.2176 -0.0104 C.3 1 UNL1111111111 -0.4398 19 H -3.3618 0.7117 1.2099 H 1 UNL1111111111 0.1394 20 H -1.8696 2.3026 -0.9691 H 1 UNL1111111111 0.1378 21 H -1.7965 2.7761 0.7261 H 1 UNL1111111111 0.1399 22 H -0.9137 0.5315 1.3812 H 1 UNL1111111111 0.1388 23 H -1.0783 -0.0618 -0.2695 H 1 UNL1111111111 0.1449 24 H -4.1068 1.1046 -1.7564 H 1 UNL1111111111 0.1494 25 H -2.9131 -0.1059 -1.2942 H 1 UNL1111111111 0.1615 26 H 0.5460 1.7202 -1.0743 H 1 UNL1111111111 0.1346 27 H 0.7163 2.3104 0.5813 H 1 UNL1111111111 0.1341 28 H 1.3778 -0.5671 -0.3424 H 1 UNL1111111111 0.1401 29 H 1.5567 0.0280 1.3097 H 1 UNL1111111111 0.1374 30 H -5.7376 0.0325 -0.0241 H 1 UNL1111111111 0.1747 31 H 3.0112 1.2045 -1.1543 H 1 UNL1111111111 0.1353 32 H 3.1932 1.7926 0.5003 H 1 UNL1111111111 0.1348 33 H -5.3902 2.1096 0.6258 H 1 UNL1111111111 0.1435 34 H -4.1187 3.0813 1.3648 H 1 UNL1111111111 0.1452 35 H -4.3854 3.1594 -0.3805 H 1 UNL1111111111 0.1433 36 H 3.8416 -1.0853 -0.4303 H 1 UNL1111111111 0.1376 37 H 4.0273 -0.4937 1.2230 H 1 UNL1111111111 0.1368 38 H 5.6607 1.2732 0.4046 H 1 UNL1111111111 0.1357 39 H 5.4777 0.6754 -1.2464 H 1 UNL1111111111 0.1358 40 H -5.8859 -0.4597 -2.5048 H 1 UNL1111111111 0.1539 41 H -6.2908 -1.8924 -1.5535 H 1 UNL1111111111 0.1534 42 H -4.7065 -1.7689 -2.3344 H 1 UNL1111111111 0.1632 43 H 6.4953 -1.0106 1.1394 H 1 UNL1111111111 0.1366 44 H 6.3107 -1.6096 -0.5103 H 1 UNL1111111111 0.1368 45 H 7.9458 0.1521 -1.3328 H 1 UNL1111111111 0.1333 46 H 8.1313 0.7496 0.3184 H 1 UNL1111111111 0.1332 47 H 8.8222 -2.1172 -0.6126 H 1 UNL1111111111 0.1424 48 H 9.9888 -0.8390 -0.2559 H 1 UNL1111111111 0.1395 49 H 9.0036 -1.5229 1.0418 H 1 UNL1111111111 0.1423 50 H -4.7421 -2.3398 2.1324 H 1 UNL1111111111 0.3523 @BOND 1 1 16 1 2 1 50 1 3 2 16 2 4 3 4 1 5 3 6 1 6 3 11 1 7 3 19 1 8 4 5 1 9 4 20 1 10 4 21 1 11 5 7 1 12 5 22 1 13 5 23 1 14 6 9 1 15 6 24 1 16 6 25 1 17 7 8 1 18 7 26 1 19 7 27 1 20 8 10 1 21 8 28 1 22 8 29 1 23 9 14 1 24 9 16 1 25 9 30 1 26 10 12 1 27 10 31 1 28 10 32 1 29 11 33 1 30 11 34 1 31 11 35 1 32 12 13 1 33 12 36 1 34 12 37 1 35 13 15 1 36 13 38 1 37 13 39 1 38 14 40 1 39 14 41 1 40 14 42 1 41 15 17 1 42 15 43 1 43 15 44 1 44 17 18 1 45 17 45 1 46 17 46 1 47 18 47 1 48 18 48 1 49 18 49 1