@MOLECULE 5-benzofuranol, 2,3-dihydro-6-(3-(2-(hydroxymethyl)phenyl)-2-propenyl)- 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1178 0.2107 1.7296 O.3 1 UNL1111111111 -0.3187 2 O -0.6119 -1.0960 -2.2250 O.3 1 UNL1111111111 -0.4721 3 O 1.3705 2.6966 -0.3936 O.3 1 UNL1111111111 -0.5422 4 C -3.2964 0.5570 -0.4125 C.ar 1 UNL1111111111 -0.0607 5 C -4.3809 1.5740 -0.2663 C.3 1 UNL1111111111 -0.3030 6 C -3.2132 -0.1821 0.7832 C.ar 1 UNL1111111111 0.1710 7 C -4.8906 1.3040 1.1701 C.3 1 UNL1111111111 -0.0437 8 C -1.4212 -1.4924 -0.0651 C.ar 1 UNL1111111111 -0.0192 9 C -2.2985 -1.2011 0.9851 C.ar 1 UNL1111111111 -0.2146 10 C -2.4411 0.2745 -1.4569 C.ar 1 UNL1111111111 -0.2468 11 C -1.5118 -0.7559 -1.2558 C.ar 1 UNL1111111111 0.1965 12 C -0.3596 -2.5386 0.0931 C.3 1 UNL1111111111 -0.2676 13 C 0.8891 -1.8297 0.5243 C.2 1 UNL1111111111 -0.1147 14 C 2.9265 -0.5563 0.0295 C.ar 1 UNL1111111111 -0.0050 15 C 1.8019 -1.4110 -0.3568 C.2 1 UNL1111111111 -0.1917 16 C 2.8662 0.8174 -0.2342 C.ar 1 UNL1111111111 -0.0798 17 C 4.0481 -1.0952 0.6612 C.ar 1 UNL1111111111 -0.1653 18 C 3.9248 1.6422 0.1437 C.ar 1 UNL1111111111 -0.1347 19 C 1.6756 1.4202 -0.9211 C.3 1 UNL1111111111 -0.0120 20 C 5.1034 -0.2662 1.0348 C.ar 1 UNL1111111111 -0.1414 21 C 5.0409 1.1026 0.7791 C.ar 1 UNL1111111111 -0.1637 22 H -4.0008 2.6048 -0.3847 H 1 UNL1111111111 0.1642 23 H -5.1772 1.4457 -1.0203 H 1 UNL1111111111 0.1597 24 H -4.7297 2.1477 1.8568 H 1 UNL1111111111 0.1387 25 H -5.9352 0.9637 1.2072 H 1 UNL1111111111 0.1364 26 H -2.2601 -1.7456 1.9237 H 1 UNL1111111111 0.1769 27 H -2.4769 0.8279 -2.3882 H 1 UNL1111111111 0.1651 28 H -0.6576 -3.3119 0.8299 H 1 UNL1111111111 0.1529 29 H -0.2080 -3.0876 -0.8636 H 1 UNL1111111111 0.1696 30 H 0.9639 -1.6199 1.5893 H 1 UNL1111111111 0.1499 31 H 1.7279 -1.6314 -1.4243 H 1 UNL1111111111 0.1705 32 H -0.7693 -0.5923 -3.0585 H 1 UNL1111111111 0.3221 33 H 4.0926 -2.1636 0.8613 H 1 UNL1111111111 0.1545 34 H 3.8707 2.7125 -0.0623 H 1 UNL1111111111 0.1655 35 H 1.8888 1.6365 -1.9879 H 1 UNL1111111111 0.1495 36 H 0.7670 0.7871 -0.8545 H 1 UNL1111111111 0.1419 37 H 5.9766 -0.6883 1.5277 H 1 UNL1111111111 0.1476 38 H 5.8642 1.7496 1.0730 H 1 UNL1111111111 0.1493 39 H 1.1974 2.6322 0.5674 H 1 UNL1111111111 0.3148 @BOND 1 1 6 1 2 1 7 1 3 2 11 1 4 2 32 1 5 3 19 1 6 3 39 1 7 4 5 1 8 4 6 ar 9 4 10 ar 10 5 7 1 11 5 22 1 12 5 23 1 13 6 9 ar 14 7 24 1 15 7 25 1 16 8 9 ar 17 8 11 ar 18 8 12 1 19 9 26 1 20 10 11 ar 21 10 27 1 22 12 13 1 23 12 28 1 24 12 29 1 25 13 15 2 26 13 30 1 27 14 15 1 28 14 16 ar 29 14 17 ar 30 15 31 1 31 16 18 ar 32 16 19 1 33 17 20 ar 34 17 33 1 35 18 21 ar 36 18 34 1 37 19 35 1 38 19 36 1 39 20 21 ar 40 20 37 1 41 21 38 1