@MOLECULE tricosylic acid 71 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -12.6835 -1.4974 0.0023 O.2 1 UNL1111111111 -0.5059 2 O -13.7310 0.4666 0.0087 O.3 1 UNL1111111111 -0.5753 3 C -12.6038 -0.2981 0.0031 C.2 1 UNL1111111111 0.6469 4 C -11.3938 0.5776 -0.0007 C.3 1 UNL1111111111 -0.3478 5 C -10.1243 -0.2780 -0.0061 C.3 1 UNL1111111111 -0.2568 6 C -8.8715 0.6048 -0.0012 C.3 1 UNL1111111111 -0.2711 7 C -7.6098 -0.2682 -0.0037 C.3 1 UNL1111111111 -0.2704 8 C -6.3432 0.5965 -0.0038 C.3 1 UNL1111111111 -0.2759 9 C -5.0901 -0.2886 -0.0001 C.3 1 UNL1111111111 -0.2727 10 C -3.8170 0.5665 -0.0029 C.3 1 UNL1111111111 -0.2733 11 C -2.5674 -0.3239 -0.0028 C.3 1 UNL1111111111 -0.2722 12 C -1.2946 0.5319 0.0001 C.3 1 UNL1111111111 -0.2728 13 C -0.0414 -0.3524 -0.0020 C.3 1 UNL1111111111 -0.2723 14 C 1.2281 0.5091 0.0010 C.3 1 UNL1111111111 -0.2727 15 C 2.4816 -0.3749 0.0009 C.3 1 UNL1111111111 -0.2726 16 C 3.7523 0.4842 -0.0012 C.3 1 UNL1111111111 -0.2727 17 C 5.0054 -0.4007 0.0017 C.3 1 UNL1111111111 -0.2726 18 C 6.2755 0.4593 0.0018 C.3 1 UNL1111111111 -0.2727 19 C 7.5293 -0.4243 -0.0012 C.3 1 UNL1111111111 -0.2727 20 C 8.7987 0.4368 0.0015 C.3 1 UNL1111111111 -0.2718 21 C 10.0522 -0.4471 -0.0010 C.3 1 UNL1111111111 -0.2722 22 C 11.3230 0.4121 0.0013 C.3 1 UNL1111111111 -0.2747 23 C 12.5749 -0.4742 0.0013 C.3 1 UNL1111111111 -0.2722 24 C 13.8491 0.3806 -0.0004 C.3 1 UNL1111111111 -0.2510 25 C 15.0974 -0.5021 0.0014 C.3 1 UNL1111111111 -0.4398 26 H -14.5675 -0.0579 0.0119 H 1 UNL1111111111 0.3559 27 H -11.4147 1.2541 0.8819 H 1 UNL1111111111 0.1813 28 H -11.4203 1.2556 -0.8820 H 1 UNL1111111111 0.1813 29 H -10.1200 -0.9459 -0.8911 H 1 UNL1111111111 0.1535 30 H -10.1194 -0.9583 0.8695 H 1 UNL1111111111 0.1538 31 H -8.8715 1.2664 0.8850 H 1 UNL1111111111 0.1375 32 H -8.8692 1.2741 -0.8818 H 1 UNL1111111111 0.1375 33 H -7.6116 -0.9339 -0.8875 H 1 UNL1111111111 0.1393 34 H -7.6095 -0.9366 0.8782 H 1 UNL1111111111 0.1393 35 H -6.3378 1.2637 0.8779 H 1 UNL1111111111 0.1361 36 H -6.3353 1.2614 -0.8872 H 1 UNL1111111111 0.1361 37 H -5.0971 -0.9583 -0.8804 H 1 UNL1111111111 0.1375 38 H -5.0979 -0.9514 0.8855 H 1 UNL1111111111 0.1375 39 H -3.8059 1.2345 0.8783 H 1 UNL1111111111 0.1363 40 H -3.8084 1.2311 -0.8867 H 1 UNL1111111111 0.1363 41 H -2.5755 -0.9890 -0.8863 H 1 UNL1111111111 0.1368 42 H -2.5774 -0.9911 0.8791 H 1 UNL1111111111 0.1368 43 H -1.2873 1.1948 0.8853 H 1 UNL1111111111 0.1363 44 H -1.2866 1.2008 -0.8807 H 1 UNL1111111111 0.1364 45 H -0.0469 -1.0157 -0.8869 H 1 UNL1111111111 0.1366 46 H -0.0476 -1.0211 0.8788 H 1 UNL1111111111 0.1366 47 H 1.2331 1.1742 0.8845 H 1 UNL1111111111 0.1363 48 H 1.2354 1.1767 -0.8806 H 1 UNL1111111111 0.1363 49 H 2.4742 -1.0422 -0.8811 H 1 UNL1111111111 0.1365 50 H 2.4759 -1.0395 0.8848 H 1 UNL1111111111 0.1365 51 H 3.7588 1.1522 0.8800 H 1 UNL1111111111 0.1363 52 H 3.7594 1.1479 -0.8858 H 1 UNL1111111111 0.1363 53 H 4.9999 -1.0677 -0.8803 H 1 UNL1111111111 0.1364 54 H 4.9978 -1.0657 0.8853 H 1 UNL1111111111 0.1364 55 H 6.2828 1.1241 0.8855 H 1 UNL1111111111 0.1363 56 H 6.2807 1.1265 -0.8802 H 1 UNL1111111111 0.1363 57 H 7.5234 -1.0873 -0.8863 H 1 UNL1111111111 0.1364 58 H 7.5234 -1.0935 0.8793 H 1 UNL1111111111 0.1364 59 H 8.8048 1.1000 0.8864 H 1 UNL1111111111 0.1363 60 H 8.8048 1.1056 -0.8792 H 1 UNL1111111111 0.1363 61 H 10.0459 -1.1107 -0.8857 H 1 UNL1111111111 0.1364 62 H 10.0460 -1.1155 0.8801 H 1 UNL1111111111 0.1364 63 H 11.3292 1.0774 0.8846 H 1 UNL1111111111 0.1362 64 H 11.3312 1.0789 -0.8808 H 1 UNL1111111111 0.1362 65 H 12.5671 -1.1415 -0.8805 H 1 UNL1111111111 0.1364 66 H 12.5684 -1.1397 0.8844 H 1 UNL1111111111 0.1364 67 H 13.8575 1.0483 0.8816 H 1 UNL1111111111 0.1335 68 H 13.8575 1.0458 -0.8843 H 1 UNL1111111111 0.1335 69 H 16.0110 0.1023 -0.0003 H 1 UNL1111111111 0.1399 70 H 15.1304 -1.1464 0.8870 H 1 UNL1111111111 0.1422 71 H 15.1303 -1.1515 -0.8804 H 1 UNL1111111111 0.1423 @BOND 1 1 3 2 2 2 3 1 3 2 26 1 4 3 4 1 5 4 5 1 6 4 27 1 7 4 28 1 8 5 6 1 9 5 29 1 10 5 30 1 11 6 7 1 12 6 31 1 13 6 32 1 14 7 8 1 15 7 33 1 16 7 34 1 17 8 9 1 18 8 35 1 19 8 36 1 20 9 10 1 21 9 37 1 22 9 38 1 23 10 11 1 24 10 39 1 25 10 40 1 26 11 12 1 27 11 41 1 28 11 42 1 29 12 13 1 30 12 43 1 31 12 44 1 32 13 14 1 33 13 45 1 34 13 46 1 35 14 15 1 36 14 47 1 37 14 48 1 38 15 16 1 39 15 49 1 40 15 50 1 41 16 17 1 42 16 51 1 43 16 52 1 44 17 18 1 45 17 53 1 46 17 54 1 47 18 19 1 48 18 55 1 49 18 56 1 50 19 20 1 51 19 57 1 52 19 58 1 53 20 21 1 54 20 59 1 55 20 60 1 56 21 22 1 57 21 61 1 58 21 62 1 59 22 23 1 60 22 63 1 61 22 64 1 62 23 24 1 63 23 65 1 64 23 66 1 65 24 25 1 66 24 67 1 67 24 68 1 68 25 69 1 69 25 70 1 70 25 71 1