@MOLECULE myristoleic acid 42 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1163 0.8785 0.1676 O.3 1 UNL111111111 -0.5762 2 O -3.7899 0.4489 -1.5685 O.2 1 UNL111111111 -0.5060 3 C 0.0163 -2.5460 0.4637 C.3 1 UNL111111111 -0.2712 4 C 1.0536 -1.5412 -0.0485 C.3 1 UNL111111111 -0.2741 5 C -1.1925 -1.8294 1.0823 C.3 1 UNL111111111 -0.2699 6 C 2.3303 -2.2408 -0.5288 C.3 1 UNL111111111 -0.2645 7 C -2.0568 -1.1568 0.0107 C.3 1 UNL111111111 -0.2540 8 C 3.4050 -1.2076 -0.9105 C.3 1 UNL111111111 -0.2784 9 C -3.2010 -0.3706 0.6564 C.3 1 UNL111111111 -0.3493 10 C 3.8843 -0.4731 0.2994 C.2 1 UNL111111111 -0.1604 11 C 3.4201 1.8585 -0.5448 C.3 1 UNL111111111 -0.2778 12 C 1.8859 1.9597 -0.5748 C.3 1 UNL111111111 -0.2627 13 C 3.8899 0.8537 0.4587 C.2 1 UNL111111111 -0.1679 14 C 1.3097 2.3477 0.7930 C.3 1 UNL111111111 -0.2494 15 C -4.0034 0.3271 -0.3920 C.2 1 UNL111111111 0.6470 16 C -0.2186 2.3514 0.7556 C.3 1 UNL111111111 -0.4435 17 H -0.3101 -3.2097 -0.3579 H 1 UNL111111111 0.1390 18 H 0.4781 -3.2084 1.2203 H 1 UNL111111111 0.1343 19 H 1.3059 -0.8156 0.7508 H 1 UNL111111111 0.1482 20 H 0.6239 -0.9417 -0.8741 H 1 UNL111111111 0.1389 21 H -1.8003 -2.5561 1.6541 H 1 UNL111111111 0.1347 22 H -0.8444 -1.0812 1.8203 H 1 UNL111111111 0.1393 23 H 2.7171 -2.9148 0.2577 H 1 UNL111111111 0.1363 24 H 2.1051 -2.8854 -1.3984 H 1 UNL111111111 0.1350 25 H -2.4579 -1.9143 -0.6909 H 1 UNL111111111 0.1508 26 H -1.4409 -0.4818 -0.6187 H 1 UNL111111111 0.1569 27 H 3.0049 -0.5194 -1.6807 H 1 UNL111111111 0.1476 28 H 4.2633 -1.7211 -1.3925 H 1 UNL111111111 0.1439 29 H -3.8543 -1.0397 1.2580 H 1 UNL111111111 0.1806 30 H -2.8094 0.3760 1.3830 H 1 UNL111111111 0.1817 31 H 4.2465 -1.1259 1.0949 H 1 UNL111111111 0.1395 32 H 3.7927 1.5996 -1.5573 H 1 UNL111111111 0.1429 33 H 3.8522 2.8550 -0.3229 H 1 UNL111111111 0.1395 34 H 1.5783 2.7007 -1.3362 H 1 UNL111111111 0.1358 35 H 1.4559 0.9935 -0.9015 H 1 UNL111111111 0.1418 36 H 4.2577 1.2928 1.3870 H 1 UNL111111111 0.1384 37 H 1.6887 3.3411 1.0957 H 1 UNL111111111 0.1339 38 H 1.6656 1.6398 1.5661 H 1 UNL111111111 0.1361 39 H -0.6124 1.3549 0.5233 H 1 UNL111111111 0.1419 40 H -0.5994 3.0411 -0.0065 H 1 UNL111111111 0.1467 41 H -0.6386 2.6583 1.7190 H 1 UNL111111111 0.1390 42 H -5.6887 1.3614 -0.4758 H 1 UNL111111111 0.3555 @BOND 1 1 15 1 2 1 42 1 3 2 15 2 4 3 4 1 5 3 5 1 6 3 17 1 7 3 18 1 8 4 6 1 9 4 19 1 10 4 20 1 11 5 7 1 12 5 21 1 13 5 22 1 14 6 8 1 15 6 23 1 16 6 24 1 17 7 9 1 18 7 25 1 19 7 26 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 15 1 24 9 29 1 25 9 30 1 26 10 13 2 27 10 31 1 28 11 12 1 29 11 13 1 30 11 32 1 31 11 33 1 32 12 14 1 33 12 34 1 34 12 35 1 35 13 36 1 36 14 16 1 37 14 37 1 38 14 38 1 39 16 39 1 40 16 40 1 41 16 41 1