@MOLECULE (2s,3r)-2-[(1e)-1-nonene-3,5,7-triyn-1-yl]tetrahydro-2h-pyran-3-ol 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3269 1.5353 -0.0170 O.3 1 UNL1111111111 -0.3934 2 O -3.0637 -2.0963 0.0199 O.3 1 UNL1111111111 -0.5607 3 C -3.4556 -0.8256 0.5005 C.3 1 UNL1111111111 0.1229 4 C -4.9784 -0.7858 0.3408 C.3 1 UNL1111111111 -0.2956 5 C -2.8040 0.2667 -0.3904 C.3 1 UNL1111111111 0.0328 6 C -5.4775 0.6273 0.6472 C.3 1 UNL1111111111 -0.3150 7 C -4.7246 1.6424 -0.2169 C.3 1 UNL1111111111 -0.0343 8 C -1.3359 0.3667 -0.1334 C.2 1 UNL1111111111 -0.1211 9 C -0.4565 -0.4719 -0.7035 C.2 1 UNL1111111111 -0.1673 10 C 0.9236 -0.3759 -0.4845 C.1 1 UNL1111111111 -0.0290 11 C 2.1277 -0.2809 -0.3210 C.1 1 UNL1111111111 -0.0493 12 C 3.4654 -0.1630 -0.1562 C.1 1 UNL1111111111 -0.0349 13 C 4.6730 -0.0429 -0.0220 C.1 1 UNL1111111111 0.0071 14 C 6.0121 0.0932 0.1193 C.1 1 UNL1111111111 -0.1130 15 C 8.6264 0.3639 0.3936 C.3 1 UNL1111111111 -0.4107 16 C 7.2161 0.2189 0.2452 C.1 1 UNL1111111111 0.0184 17 H -3.1490 -0.7162 1.5616 H 1 UNL1111111111 0.1268 18 H -5.4497 -1.5304 1.0096 H 1 UNL1111111111 0.1532 19 H -5.2590 -1.0984 -0.6839 H 1 UNL1111111111 0.1576 20 H -3.0322 0.0783 -1.4645 H 1 UNL1111111111 0.1470 21 H -6.5653 0.7033 0.4718 H 1 UNL1111111111 0.1455 22 H -5.3230 0.8606 1.7188 H 1 UNL1111111111 0.1522 23 H -4.9576 1.5282 -1.2899 H 1 UNL1111111111 0.1203 24 H -4.9195 2.6863 0.0927 H 1 UNL1111111111 0.1414 25 H -1.0357 1.1708 0.5427 H 1 UNL1111111111 0.1763 26 H -2.1263 -2.2751 0.2404 H 1 UNL1111111111 0.3210 27 H -0.7744 -1.2629 -1.3972 H 1 UNL1111111111 0.1764 28 H 9.1479 0.3657 -0.5831 H 1 UNL1111111111 0.1752 29 H 8.8958 1.3096 0.9025 H 1 UNL1111111111 0.1752 30 H 9.0673 -0.4581 0.9905 H 1 UNL1111111111 0.1751 @BOND 1 1 5 1 2 1 7 1 3 2 3 1 4 2 26 1 5 3 4 1 6 3 5 1 7 3 17 1 8 4 6 1 9 4 18 1 10 4 19 1 11 5 8 1 12 5 20 1 13 6 7 1 14 6 21 1 15 6 22 1 16 7 23 1 17 7 24 1 18 8 9 2 19 8 25 1 20 9 10 1 21 9 27 1 22 10 11 3 23 11 12 1 24 12 13 3 25 13 14 1 26 14 16 3 27 15 16 1 28 15 28 1 29 15 29 1 30 15 30 1