@MOLECULE 4,7,10,13-icosatetraynoic acid 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4862 -0.3550 2.9517 O.3 1 UNL1111111111 -0.5796 2 O 1.5567 -1.0920 2.4474 O.2 1 UNL1111111111 -0.4824 3 C -2.6691 1.5378 -1.2963 C.3 1 UNL1111111111 -0.2735 4 C -1.8223 2.5935 -2.0167 C.3 1 UNL1111111111 -0.2697 5 C -2.7517 1.7913 0.2135 C.3 1 UNL1111111111 -0.2465 6 C -0.3610 2.5972 -1.5484 C.3 1 UNL1111111111 -0.2444 7 C -3.6380 0.7409 0.9104 C.3 1 UNL1111111111 -0.2413 8 C 0.4530 3.6231 -2.3381 C.3 1 UNL1111111111 -0.4407 9 C -3.1602 -0.5867 0.6579 C.1 1 UNL1111111111 -0.0594 10 C -2.7429 -1.7025 0.4389 C.1 1 UNL1111111111 -0.1344 11 C -2.2480 -3.0247 0.1718 C.3 1 UNL1111111111 -0.1798 12 C 1.0857 1.3115 2.5299 C.3 1 UNL1111111111 -0.3300 13 C 2.5585 1.5999 2.2032 C.3 1 UNL1111111111 -0.2074 14 C -1.1123 -2.9974 -0.7093 C.1 1 UNL1111111111 -0.0862 15 C 0.8209 -0.1601 2.6170 C.2 1 UNL1111111111 0.6448 16 C 2.9098 1.0848 0.9124 C.1 1 UNL1111111111 -0.0989 17 C -0.1576 -3.0110 -1.4540 C.1 1 UNL1111111111 -0.0858 18 C 3.5350 0.0301 -1.4368 C.3 1 UNL1111111111 -0.1849 19 C 0.9762 -3.0246 -2.3368 C.3 1 UNL1111111111 -0.1814 20 C 3.2072 0.6136 -0.1631 C.1 1 UNL1111111111 -0.0795 21 C 2.6388 -1.0518 -1.7448 C.1 1 UNL1111111111 -0.0868 22 C 1.8848 -1.9600 -2.0128 C.1 1 UNL1111111111 -0.0830 23 H -3.6872 1.5250 -1.7315 H 1 UNL1111111111 0.1327 24 H -2.2511 0.5271 -1.4840 H 1 UNL1111111111 0.1525 25 H -1.8576 2.4020 -3.1073 H 1 UNL1111111111 0.1349 26 H -2.2648 3.5940 -1.8704 H 1 UNL1111111111 0.1306 27 H -3.1511 2.8029 0.4096 H 1 UNL1111111111 0.1319 28 H -1.7381 1.7670 0.6581 H 1 UNL1111111111 0.1424 29 H 0.0790 1.5883 -1.6659 H 1 UNL1111111111 0.1436 30 H -0.3037 2.8251 -0.4661 H 1 UNL1111111111 0.1287 31 H -3.6550 0.9475 2.0093 H 1 UNL1111111111 0.1587 32 H -4.6924 0.8523 0.5727 H 1 UNL1111111111 0.1540 33 H 0.0472 4.6327 -2.2175 H 1 UNL1111111111 0.1371 34 H 0.4536 3.3943 -3.4097 H 1 UNL1111111111 0.1414 35 H 1.4963 3.6428 -2.0036 H 1 UNL1111111111 0.1392 36 H -3.0605 -3.6634 -0.2757 H 1 UNL1111111111 0.1754 37 H -1.9787 -3.5415 1.1348 H 1 UNL1111111111 0.1739 38 H 0.4248 1.7500 1.7476 H 1 UNL1111111111 0.1849 39 H 0.7939 1.8026 3.4839 H 1 UNL1111111111 0.1774 40 H 3.2115 1.1482 2.9914 H 1 UNL1111111111 0.1697 41 H 2.7435 2.6989 2.2543 H 1 UNL1111111111 0.1578 42 H 4.6007 -0.3333 -1.4368 H 1 UNL1111111111 0.1776 43 H 3.4945 0.8013 -2.2559 H 1 UNL1111111111 0.1752 44 H 1.4962 -4.0212 -2.2858 H 1 UNL1111111111 0.1770 45 H 0.6402 -2.9323 -3.4071 H 1 UNL1111111111 0.1762 46 H -0.7656 -1.3015 2.9451 H 1 UNL1111111111 0.3580 @BOND 1 1 15 1 2 1 46 1 3 2 15 2 4 3 4 1 5 3 5 1 6 3 23 1 7 3 24 1 8 4 6 1 9 4 25 1 10 4 26 1 11 5 7 1 12 5 27 1 13 5 28 1 14 6 8 1 15 6 29 1 16 6 30 1 17 7 9 1 18 7 31 1 19 7 32 1 20 8 33 1 21 8 34 1 22 8 35 1 23 9 10 3 24 10 11 1 25 11 14 1 26 11 36 1 27 11 37 1 28 12 13 1 29 12 15 1 30 12 38 1 31 12 39 1 32 13 16 1 33 13 40 1 34 13 41 1 35 14 17 3 36 16 20 3 37 17 19 1 38 18 20 1 39 18 21 1 40 18 42 1 41 18 43 1 42 19 22 1 43 19 44 1 44 19 45 1 45 21 22 3