@MOLECULE 4,4'-[(1e,3s)-3-(hydroxymethyl)-1-butene-1,4-diyl]bis(2-methoxyphenol) 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1315 -4.7934 -0.1036 O.3 1 UNL1111111111 -0.5452 2 O 1.3504 3.0216 -0.8879 O.3 1 UNL1111111111 -0.3493 3 O 3.1217 3.5994 1.1248 O.3 1 UNL1111111111 -0.4541 4 O -3.6591 0.5754 -1.6349 O.3 1 UNL1111111111 -0.3084 5 O -5.2882 0.5542 0.6840 O.3 1 UNL1111111111 -0.4713 6 C 1.9755 -2.5162 -0.2057 C.3 1 UNL1111111111 -0.1590 7 C 2.9714 -1.6265 -0.9782 C.3 1 UNL1111111111 -0.2803 8 C 2.9949 -0.2371 -0.4193 C.ar 1 UNL1111111111 -0.0218 9 C 1.9800 -3.9272 -0.8254 C.3 1 UNL1111111111 -0.0102 10 C 0.5911 -1.9519 -0.2868 C.2 1 UNL1111111111 -0.1498 11 C 2.1054 0.7189 -0.9189 C.ar 1 UNL1111111111 -0.1752 12 C 3.8943 0.1015 0.5949 C.ar 1 UNL1111111111 -0.1430 13 C -0.0771 -1.5259 0.7924 C.2 1 UNL1111111111 -0.1673 14 C 2.1309 2.0038 -0.3950 C.ar 1 UNL1111111111 0.0669 15 C -1.4353 -0.9897 0.7492 C.ar 1 UNL1111111111 -0.0107 16 C 3.9352 1.3928 1.1139 C.ar 1 UNL1111111111 -0.2148 17 C 3.0507 2.3460 0.6103 C.ar 1 UNL1111111111 0.2107 18 C -1.9509 -0.4000 -0.4103 C.ar 1 UNL1111111111 -0.2027 19 C -2.2279 -1.0594 1.9003 C.ar 1 UNL1111111111 -0.1401 20 C -3.2519 0.1051 -0.4240 C.ar 1 UNL1111111111 0.1512 21 C -3.5271 -0.5599 1.9004 C.ar 1 UNL1111111111 -0.2449 22 C -4.0360 0.0222 0.7403 C.ar 1 UNL1111111111 0.1671 23 C -0.0325 2.8582 -0.5820 C.3 1 UNL1111111111 -0.1953 24 C -4.5527 1.6840 -1.6063 C.3 1 UNL1111111111 -0.1932 25 H 2.3095 -2.5935 0.8588 H 1 UNL1111111111 0.1603 26 H 2.7093 -1.6074 -2.0551 H 1 UNL1111111111 0.1513 27 H 3.9833 -2.0797 -0.9335 H 1 UNL1111111111 0.1498 28 H 1.6694 -3.9172 -1.8840 H 1 UNL1111111111 0.1167 29 H 2.9667 -4.4183 -0.7332 H 1 UNL1111111111 0.1395 30 H 0.1656 -1.9150 -1.2894 H 1 UNL1111111111 0.1498 31 H 1.3990 0.4665 -1.7067 H 1 UNL1111111111 0.1675 32 H 4.5767 -0.6521 0.9864 H 1 UNL1111111111 0.1556 33 H 0.3705 -1.5694 1.7908 H 1 UNL1111111111 0.1594 34 H 4.6372 1.6698 1.8971 H 1 UNL1111111111 0.1753 35 H 0.2295 -4.4197 -0.0421 H 1 UNL1111111111 0.3179 36 H -1.3496 -0.3264 -1.3146 H 1 UNL1111111111 0.1721 37 H -1.8279 -1.5146 2.8068 H 1 UNL1111111111 0.1594 38 H -4.1392 -0.6246 2.7951 H 1 UNL1111111111 0.1586 39 H 2.4722 4.1969 0.6629 H 1 UNL1111111111 0.3389 40 H -0.1897 2.8934 0.5001 H 1 UNL1111111111 0.1313 41 H -0.4207 1.9214 -0.9951 H 1 UNL1111111111 0.1373 42 H -0.4942 3.7194 -1.0794 H 1 UNL1111111111 0.1492 43 H -5.7770 0.4189 1.5329 H 1 UNL1111111111 0.3259 44 H -4.2002 2.4643 -0.9259 H 1 UNL1111111111 0.1322 45 H -5.5627 1.3561 -1.3311 H 1 UNL1111111111 0.1481 46 H -4.5283 2.0280 -2.6482 H 1 UNL1111111111 0.1447 @BOND 1 1 9 1 2 1 35 1 3 2 14 1 4 2 23 1 5 3 17 1 6 3 39 1 7 4 20 1 8 4 24 1 9 5 22 1 10 5 43 1 11 6 7 1 12 6 9 1 13 6 10 1 14 6 25 1 15 7 8 1 16 7 26 1 17 7 27 1 18 8 11 ar 19 8 12 ar 20 9 28 1 21 9 29 1 22 10 13 2 23 10 30 1 24 11 14 ar 25 11 31 1 26 12 16 ar 27 12 32 1 28 13 15 1 29 13 33 1 30 14 17 ar 31 15 18 ar 32 15 19 ar 33 16 17 ar 34 16 34 1 35 18 20 ar 36 18 36 1 37 19 21 ar 38 19 37 1 39 20 22 ar 40 21 22 ar 41 21 38 1 42 23 40 1 43 23 41 1 44 23 42 1 45 24 44 1 46 24 45 1 47 24 46 1