@MOLECULE 3-methyl-15-phenylpentadecanoic acid 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6934 -2.3018 -2.3478 O.3 1 UNL1111111111 -0.5691 2 O -0.0814 -0.7804 -2.1613 O.2 1 UNL1111111111 -0.5268 3 C 3.2517 -2.1480 -0.2120 C.3 1 UNL1111111111 -0.2713 4 C 4.5928 -1.5188 0.1925 C.3 1 UNL1111111111 -0.2716 5 C 2.4523 -2.6271 1.0074 C.3 1 UNL1111111111 -0.2677 6 C 4.4229 -0.1265 0.8186 C.3 1 UNL1111111111 -0.2715 7 C 0.9742 -2.8527 0.6600 C.3 1 UNL1111111111 -0.2858 8 C 4.0079 0.9158 -0.2273 C.3 1 UNL1111111111 -0.2698 9 C 0.1826 -1.5312 0.6509 C.3 1 UNL1111111111 -0.0615 10 C 3.5666 2.2224 0.4441 C.3 1 UNL1111111111 -0.2702 11 C 2.9481 3.1957 -0.5705 C.3 1 UNL1111111111 -0.2723 12 C 1.5659 2.7381 -1.0550 C.3 1 UNL1111111111 -0.2702 13 C 0.4809 2.9647 0.0065 C.3 1 UNL1111111111 -0.2641 14 C -1.1180 -1.7022 -0.1563 C.3 1 UNL1111111111 -0.3841 15 C -0.7840 2.1821 -0.3618 C.3 1 UNL1111111111 -0.2654 16 C -0.1559 -1.0815 2.0750 C.3 1 UNL1111111111 -0.4558 17 C -1.9153 2.4480 0.6447 C.3 1 UNL1111111111 -0.2956 18 C -0.8628 -1.5135 -1.6118 C.2 1 UNL1111111111 0.6590 19 C -2.9573 1.3747 0.5667 C.ar 1 UNL1111111111 0.0246 20 C -3.5825 1.0886 -0.6503 C.ar 1 UNL1111111111 -0.1867 21 C -3.3004 0.6417 1.7049 C.ar 1 UNL1111111111 -0.1959 22 C -4.5222 0.0657 -0.7313 C.ar 1 UNL1111111111 -0.1297 23 C -4.2446 -0.3809 1.6217 C.ar 1 UNL1111111111 -0.1370 24 C -4.8516 -0.6752 0.4032 C.ar 1 UNL1111111111 -0.1711 25 H 2.6560 -1.4181 -0.7965 H 1 UNL1111111111 0.1520 26 H 3.4289 -2.9962 -0.8989 H 1 UNL1111111111 0.1313 27 H 5.2504 -1.4479 -0.6947 H 1 UNL1111111111 0.1352 28 H 5.1188 -2.1840 0.9023 H 1 UNL1111111111 0.1310 29 H 2.5376 -1.8951 1.8329 H 1 UNL1111111111 0.1402 30 H 2.8940 -3.5618 1.3966 H 1 UNL1111111111 0.1288 31 H 5.3667 0.1841 1.3031 H 1 UNL1111111111 0.1295 32 H 3.6693 -0.1701 1.6276 H 1 UNL1111111111 0.1358 33 H 0.8980 -3.3495 -0.3258 H 1 UNL1111111111 0.1412 34 H 0.5214 -3.5569 1.3824 H 1 UNL1111111111 0.1353 35 H 3.1794 0.5163 -0.8469 H 1 UNL1111111111 0.1484 36 H 4.8388 1.1061 -0.9294 H 1 UNL1111111111 0.1332 37 H 0.8096 -0.7364 0.1674 H 1 UNL1111111111 0.1603 38 H 4.4312 2.6987 0.9413 H 1 UNL1111111111 0.1288 39 H 2.8369 2.0060 1.2473 H 1 UNL1111111111 0.1366 40 H 2.8726 4.2032 -0.1210 H 1 UNL1111111111 0.1304 41 H 3.6262 3.3061 -1.4379 H 1 UNL1111111111 0.1338 42 H 1.2972 3.2747 -1.9838 H 1 UNL1111111111 0.1324 43 H 1.6000 1.6657 -1.3375 H 1 UNL1111111111 0.1534 44 H 0.2580 4.0424 0.0988 H 1 UNL1111111111 0.1305 45 H 0.8463 2.6419 0.9996 H 1 UNL1111111111 0.1360 46 H -1.8842 -0.9549 0.1671 H 1 UNL1111111111 0.1990 47 H -1.5904 -2.6852 0.0503 H 1 UNL1111111111 0.1837 48 H -1.1116 2.4456 -1.3845 H 1 UNL1111111111 0.1411 49 H -0.5513 1.0978 -0.3987 H 1 UNL1111111111 0.1533 50 H -0.8178 -1.7926 2.5796 H 1 UNL1111111111 0.1450 51 H 0.7496 -0.9832 2.6844 H 1 UNL1111111111 0.1481 52 H -0.6535 -0.1037 2.0728 H 1 UNL1111111111 0.1480 53 H -1.4982 2.5245 1.6680 H 1 UNL1111111111 0.1472 54 H -2.3747 3.4385 0.4445 H 1 UNL1111111111 0.1525 55 H -3.3301 1.6664 -1.5377 H 1 UNL1111111111 0.1578 56 H -2.8346 0.8676 2.6609 H 1 UNL1111111111 0.1510 57 H -1.5801 -2.1947 -3.3224 H 1 UNL1111111111 0.3519 58 H -5.0001 -0.1582 -1.6833 H 1 UNL1111111111 0.1504 59 H -4.5073 -0.9491 2.5118 H 1 UNL1111111111 0.1465 60 H -5.5826 -1.4773 0.3362 H 1 UNL1111111111 0.1501 @BOND 1 1 18 1 2 1 57 1 3 2 18 2 4 3 4 1 5 3 5 1 6 3 25 1 7 3 26 1 8 4 6 1 9 4 27 1 10 4 28 1 11 5 7 1 12 5 29 1 13 5 30 1 14 6 8 1 15 6 31 1 16 6 32 1 17 7 9 1 18 7 33 1 19 7 34 1 20 8 10 1 21 8 35 1 22 8 36 1 23 9 14 1 24 9 16 1 25 9 37 1 26 10 11 1 27 10 38 1 28 10 39 1 29 11 12 1 30 11 40 1 31 11 41 1 32 12 13 1 33 12 42 1 34 12 43 1 35 13 15 1 36 13 44 1 37 13 45 1 38 14 18 1 39 14 46 1 40 14 47 1 41 15 17 1 42 15 48 1 43 15 49 1 44 16 50 1 45 16 51 1 46 16 52 1 47 17 19 1 48 17 53 1 49 17 54 1 50 19 20 ar 51 19 21 ar 52 20 22 ar 53 20 55 1 54 21 23 ar 55 21 56 1 56 22 24 ar 57 22 58 1 58 23 24 ar 59 23 59 1 60 24 60 1