@MOLECULE (2z)-2-methyl-3-tetradecyl-2-butenedioic acid 57 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.1004 1.5535 -1.4965 O.3 1 UNL1111111111 -0.5418 2 O -4.6673 -0.0321 -2.1402 O.2 1 UNL1111111111 -0.4803 3 O -4.6900 -3.0057 0.0482 O.3 1 UNL1111111111 -0.5393 4 O -6.6040 -2.1141 -0.6764 O.2 1 UNL1111111111 -0.4784 5 C 2.7732 0.2070 0.4189 C.3 1 UNL1111111111 -0.2727 6 C 1.6576 1.2327 0.1820 C.3 1 UNL1111111111 -0.2722 7 C 4.1334 0.7821 0.0042 C.3 1 UNL1111111111 -0.2729 8 C 0.2948 0.6658 0.6013 C.3 1 UNL1111111111 -0.2726 9 C 5.2500 -0.2430 0.2401 C.3 1 UNL1111111111 -0.2717 10 C -0.8121 1.6960 0.3423 C.3 1 UNL1111111111 -0.2739 11 C 6.6101 0.3319 -0.1759 C.3 1 UNL1111111111 -0.2723 12 C -2.1740 1.1511 0.7879 C.3 1 UNL1111111111 -0.2734 13 C 7.7267 -0.6933 0.0589 C.3 1 UNL1111111111 -0.2746 14 C -3.2877 2.1628 0.4950 C.3 1 UNL1111111111 -0.2640 15 C 9.0867 -0.1180 -0.3560 C.3 1 UNL1111111111 -0.2722 16 C -4.6600 1.6326 0.9410 C.3 1 UNL1111111111 -0.2693 17 C 10.2046 -1.1441 -0.1259 C.3 1 UNL1111111111 -0.2510 18 C -5.0233 0.3796 0.2160 C.2 1 UNL1111111111 -0.0581 19 C 11.5621 -0.5727 -0.5359 C.3 1 UNL1111111111 -0.4398 20 C -5.1565 -0.8316 0.7744 C.2 1 UNL1111111111 -0.0389 21 C -5.2112 0.5595 -1.2452 C.2 1 UNL1111111111 0.6276 22 C -4.9382 -1.1491 2.2081 C.3 1 UNL1111111111 -0.4364 23 C -5.5921 -1.9962 -0.0382 C.2 1 UNL1111111111 0.6241 24 H 2.5640 -0.7182 -0.1499 H 1 UNL1111111111 0.1383 25 H 2.7960 -0.0898 1.4837 H 1 UNL1111111111 0.1351 26 H 1.8709 2.1602 0.7449 H 1 UNL1111111111 0.1343 27 H 1.6331 1.5238 -0.8851 H 1 UNL1111111111 0.1385 28 H 4.3430 1.7076 0.5716 H 1 UNL1111111111 0.1356 29 H 4.1101 1.0779 -1.0614 H 1 UNL1111111111 0.1373 30 H 0.0823 -0.2662 0.0441 H 1 UNL1111111111 0.1420 31 H 0.3125 0.3842 1.6698 H 1 UNL1111111111 0.1335 32 H 5.2739 -0.5392 1.3051 H 1 UNL1111111111 0.1357 33 H 5.0405 -1.1684 -0.3281 H 1 UNL1111111111 0.1370 34 H -0.5859 2.6381 0.8746 H 1 UNL1111111111 0.1336 35 H -0.8416 1.9529 -0.7339 H 1 UNL1111111111 0.1409 36 H 6.8201 1.2572 0.3922 H 1 UNL1111111111 0.1360 37 H 6.5863 0.6284 -1.2410 H 1 UNL1111111111 0.1368 38 H -2.1515 0.9078 1.8656 H 1 UNL1111111111 0.1330 39 H -2.3832 0.1954 0.2664 H 1 UNL1111111111 0.1515 40 H 7.5174 -1.6182 -0.5102 H 1 UNL1111111111 0.1366 41 H 7.7502 -0.9905 1.1238 H 1 UNL1111111111 0.1360 42 H -3.3049 2.4046 -0.5856 H 1 UNL1111111111 0.1463 43 H -3.0771 3.1187 1.0112 H 1 UNL1111111111 0.1397 44 H 9.2987 0.8050 0.2146 H 1 UNL1111111111 0.1362 45 H 9.0635 0.1823 -1.4199 H 1 UNL1111111111 0.1367 46 H -5.4397 2.4071 0.7486 H 1 UNL1111111111 0.1718 47 H -4.6666 1.4865 2.0400 H 1 UNL1111111111 0.1529 48 H 9.9945 -2.0670 -0.6986 H 1 UNL1111111111 0.1337 49 H 10.2274 -1.4462 0.9381 H 1 UNL1111111111 0.1333 50 H 11.8073 0.3279 0.0378 H 1 UNL1111111111 0.1421 51 H 12.3651 -1.2988 -0.3685 H 1 UNL1111111111 0.1399 52 H 11.5785 -0.3022 -1.5975 H 1 UNL1111111111 0.1424 53 H -5.8915 -1.1831 2.7605 H 1 UNL1111111111 0.1692 54 H -4.2924 -0.4161 2.7146 H 1 UNL1111111111 0.1646 55 H -4.4519 -2.1324 2.3387 H 1 UNL1111111111 0.1803 56 H -6.2843 1.6756 -2.4629 H 1 UNL1111111111 0.3564 57 H -4.9230 -3.7841 -0.5204 H 1 UNL1111111111 0.3567 @BOND 1 1 21 1 2 1 56 1 3 2 21 2 4 3 23 1 5 3 57 1 6 4 23 2 7 5 6 1 8 5 7 1 9 5 24 1 10 5 25 1 11 6 8 1 12 6 26 1 13 6 27 1 14 7 9 1 15 7 28 1 16 7 29 1 17 8 10 1 18 8 30 1 19 8 31 1 20 9 11 1 21 9 32 1 22 9 33 1 23 10 12 1 24 10 34 1 25 10 35 1 26 11 13 1 27 11 36 1 28 11 37 1 29 12 14 1 30 12 38 1 31 12 39 1 32 13 15 1 33 13 40 1 34 13 41 1 35 14 16 1 36 14 42 1 37 14 43 1 38 15 17 1 39 15 44 1 40 15 45 1 41 16 18 1 42 16 46 1 43 16 47 1 44 17 19 1 45 17 48 1 46 17 49 1 47 18 20 2 48 18 21 1 49 19 50 1 50 19 51 1 51 19 52 1 52 20 22 1 53 20 23 1 54 22 53 1 55 22 54 1 56 22 55 1