@MOLECULE 9,10-epoxy-1-heptadecen-4,6-diyn-3-ol 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1031 -4.6220 0.3018 O.3 1 UNL1111111111 -0.3563 2 O 3.8145 2.7608 -1.6423 O.3 1 UNL1111111111 -0.5320 3 C -1.2436 -3.4044 -0.4427 C.3 1 UNL1111111111 0.0148 4 C -0.1803 -3.5722 0.5935 C.3 1 UNL1111111111 0.0106 5 C -2.4652 -2.5787 -0.1376 C.3 1 UNL1111111111 -0.3041 6 C -2.1438 -1.0943 -0.3523 C.3 1 UNL1111111111 -0.2630 7 C 1.2554 -3.8267 0.1765 C.3 1 UNL1111111111 -0.2725 8 C -3.3588 -0.2199 -0.0221 C.3 1 UNL1111111111 -0.2692 9 C -3.0190 1.2635 -0.2163 C.3 1 UNL1111111111 -0.2733 10 C -4.2251 2.1464 0.1261 C.3 1 UNL1111111111 -0.2755 11 C 1.9305 -2.5771 0.0080 C.1 1 UNL1111111111 -0.0111 12 C -3.8808 3.6310 -0.0543 C.3 1 UNL1111111111 -0.2511 13 C -5.0792 4.5147 0.2920 C.3 1 UNL1111111111 -0.4398 14 C 2.4764 -1.4983 -0.1235 C.1 1 UNL1111111111 -0.0909 15 C 3.0769 -0.2888 -0.2529 C.1 1 UNL1111111111 -0.0146 16 C 3.6080 0.8004 -0.3499 C.1 1 UNL1111111111 -0.1238 17 C 4.2319 2.0956 -0.4621 C.3 1 UNL1111111111 0.1756 18 C 3.9451 2.9637 0.7375 C.2 1 UNL1111111111 -0.1727 19 C 4.1729 2.5724 1.9887 C.2 1 UNL1111111111 -0.3013 20 H -0.9958 -3.5044 -1.5037 H 1 UNL1111111111 0.1529 21 H -0.2992 -3.1284 1.5862 H 1 UNL1111111111 0.1597 22 H -3.3112 -2.8916 -0.7812 H 1 UNL1111111111 0.1535 23 H -2.8112 -2.7562 0.9008 H 1 UNL1111111111 0.1580 24 H -1.2825 -0.7988 0.2781 H 1 UNL1111111111 0.1433 25 H -1.8246 -0.9218 -1.3973 H 1 UNL1111111111 0.1409 26 H 1.2919 -4.4406 -0.7583 H 1 UNL1111111111 0.1855 27 H 1.7641 -4.4637 0.9440 H 1 UNL1111111111 0.1831 28 H -4.2160 -0.4995 -0.6623 H 1 UNL1111111111 0.1372 29 H -3.6860 -0.3995 1.0191 H 1 UNL1111111111 0.1376 30 H -2.1555 1.5405 0.4172 H 1 UNL1111111111 0.1384 31 H -2.7008 1.4462 -1.2598 H 1 UNL1111111111 0.1371 32 H -5.0865 1.8786 -0.5134 H 1 UNL1111111111 0.1366 33 H -4.5512 1.9587 1.1660 H 1 UNL1111111111 0.1368 34 H -3.0169 3.8993 0.5827 H 1 UNL1111111111 0.1337 35 H -3.5599 3.8209 -1.0959 H 1 UNL1111111111 0.1337 36 H -5.9401 4.2910 -0.3478 H 1 UNL1111111111 0.1427 37 H -5.3949 4.3719 1.3314 H 1 UNL1111111111 0.1425 38 H -4.8404 5.5762 0.1634 H 1 UNL1111111111 0.1406 39 H 5.3435 2.0119 -0.6360 H 1 UNL1111111111 0.1766 40 H 3.5591 3.9520 0.4852 H 1 UNL1111111111 0.1625 41 H 2.8386 2.7573 -1.7224 H 1 UNL1111111111 0.3171 42 H 3.9887 3.1968 2.8501 H 1 UNL1111111111 0.1490 43 H 4.5557 1.5979 2.2553 H 1 UNL1111111111 0.1511 @BOND 1 1 3 1 2 1 4 1 3 2 17 1 4 2 41 1 5 3 4 1 6 3 5 1 7 3 20 1 8 4 7 1 9 4 21 1 10 5 6 1 11 5 22 1 12 5 23 1 13 6 8 1 14 6 24 1 15 6 25 1 16 7 11 1 17 7 26 1 18 7 27 1 19 8 9 1 20 8 28 1 21 8 29 1 22 9 10 1 23 9 30 1 24 9 31 1 25 10 12 1 26 10 32 1 27 10 33 1 28 11 14 3 29 12 13 1 30 12 34 1 31 12 35 1 32 13 36 1 33 13 37 1 34 13 38 1 35 14 15 1 36 15 16 3 37 16 17 1 38 17 18 1 39 17 39 1 40 18 19 2 41 18 40 1 42 19 42 1 43 19 43 1