@MOLECULE 1-(3,4-dimethoxyphenyl)-2-phenyl-1,1-ethanediol 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2446 -2.2440 0.9926 O.3 1 UNL1111111111 -0.6010 2 O -1.5295 -2.8802 -1.0715 O.3 1 UNL1111111111 -0.6048 3 O 2.7352 -0.1835 -1.5530 O.3 1 UNL1111111111 -0.3392 4 O 3.3000 0.5809 1.1710 O.3 1 UNL1111111111 -0.3342 5 C -1.6397 -1.7857 -0.1923 C.3 1 UNL1111111111 0.5479 6 C -2.5574 -0.7864 -0.9279 C.3 1 UNL1111111111 -0.3501 7 C -0.2867 -1.2395 0.1828 C.ar 1 UNL1111111111 -0.1187 8 C -2.3053 0.6087 -0.4514 C.ar 1 UNL1111111111 0.0196 9 C 0.6221 -0.9769 -0.8423 C.ar 1 UNL1111111111 -0.1605 10 C 0.0257 -0.9418 1.5083 C.ar 1 UNL1111111111 -0.0936 11 C 1.8428 -0.3877 -0.5280 C.ar 1 UNL1111111111 0.1020 12 C 1.2559 -0.3711 1.8253 C.ar 1 UNL1111111111 -0.2118 13 C -2.6459 0.9726 0.8537 C.ar 1 UNL1111111111 -0.1614 14 C -1.6965 1.5389 -1.2961 C.ar 1 UNL1111111111 -0.1707 15 C 2.1650 -0.0907 0.8046 C.ar 1 UNL1111111111 0.1614 16 C -2.3632 2.2550 1.3151 C.ar 1 UNL1111111111 -0.1385 17 C -1.4141 2.8214 -0.8305 C.ar 1 UNL1111111111 -0.1411 18 C -1.7433 3.1794 0.4752 C.ar 1 UNL1111111111 -0.1571 19 C 2.8253 1.1945 -1.9156 C.3 1 UNL1111111111 -0.1978 20 C 4.5083 -0.0956 0.8298 C.3 1 UNL1111111111 -0.1985 21 H -3.6186 -1.0690 -0.7760 H 1 UNL1111111111 0.1669 22 H -2.3885 -0.8864 -2.0223 H 1 UNL1111111111 0.1783 23 H 0.3828 -1.2113 -1.8801 H 1 UNL1111111111 0.1800 24 H -0.6988 -1.1498 2.3000 H 1 UNL1111111111 0.1790 25 H 1.5124 -0.1290 2.8548 H 1 UNL1111111111 0.1744 26 H -3.1100 0.2403 1.5138 H 1 UNL1111111111 0.1616 27 H -1.4315 1.2617 -2.3135 H 1 UNL1111111111 0.1503 28 H -3.0165 -2.8125 0.8027 H 1 UNL1111111111 0.3384 29 H -0.8954 -3.5490 -0.7436 H 1 UNL1111111111 0.3415 30 H -2.6187 2.5331 2.3353 H 1 UNL1111111111 0.1467 31 H -0.9319 3.5424 -1.4865 H 1 UNL1111111111 0.1452 32 H -1.5146 4.1776 0.8403 H 1 UNL1111111111 0.1465 33 H 3.1623 1.8001 -1.0671 H 1 UNL1111111111 0.1413 34 H 1.8610 1.5518 -2.2891 H 1 UNL1111111111 0.1311 35 H 3.5752 1.1847 -2.7144 H 1 UNL1111111111 0.1435 36 H 4.5443 -1.0762 1.3133 H 1 UNL1111111111 0.1307 37 H 5.2759 0.5706 1.2411 H 1 UNL1111111111 0.1450 38 H 4.6162 -0.1943 -0.2555 H 1 UNL1111111111 0.1472 @BOND 1 1 5 1 2 1 28 1 3 2 5 1 4 2 29 1 5 3 11 1 6 3 19 1 7 4 15 1 8 4 20 1 9 5 6 1 10 5 7 1 11 6 8 1 12 6 21 1 13 6 22 1 14 7 9 ar 15 7 10 ar 16 8 13 ar 17 8 14 ar 18 9 11 ar 19 9 23 1 20 10 12 ar 21 10 24 1 22 11 15 ar 23 12 15 ar 24 12 25 1 25 13 16 ar 26 13 26 1 27 14 17 ar 28 14 27 1 29 16 18 ar 30 16 30 1 31 17 18 ar 32 17 31 1 33 18 32 1 34 19 33 1 35 19 34 1 36 19 35 1 37 20 36 1 38 20 37 1 39 20 38 1