@MOLECULE diphyllin methyl ether 47 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5662 -4.3485 -0.1693 O.3 1 UNL11111111111 -0.3972 2 O 3.4269 -2.4789 -0.5598 O.3 1 UNL11111111111 -0.3335 3 O -4.5047 1.3355 -1.5300 O.3 1 UNL11111111111 -0.3394 4 O -5.3317 1.6595 0.6543 O.3 1 UNL11111111111 -0.3440 5 O 1.8003 3.6334 0.2674 O.3 1 UNL11111111111 -0.3385 6 O 4.3320 2.4003 -0.2914 O.3 1 UNL11111111111 -0.3325 7 O -2.3975 -3.1092 0.1427 O.2 1 UNL11111111111 -0.4046 8 C -0.3258 -0.7039 0.1000 C.ar 1 UNL11111111111 0.0797 9 C -0.1930 -2.0563 -0.0245 C.ar 1 UNL11111111111 -0.1697 10 C 1.0752 -2.6800 -0.2144 C.ar 1 UNL11111111111 -0.1035 11 C 0.8567 0.1087 0.0322 C.ar 1 UNL11111111111 -0.0250 12 C 2.1212 -0.4952 -0.1609 C.ar 1 UNL11111111111 -0.0238 13 C 2.2052 -1.9209 -0.2772 C.ar 1 UNL11111111111 0.1766 14 C 0.8528 -4.1536 -0.3234 C.3 1 UNL11111111111 -0.0268 15 C -1.6387 -0.0741 0.2939 C.ar 1 UNL11111111111 -0.0318 16 C -1.2116 -3.1303 0.0024 C.2 1 UNL11111111111 0.5929 17 C 0.7768 1.5201 0.1419 C.ar 1 UNL11111111111 -0.1789 18 C 3.2879 0.3025 -0.2347 C.ar 1 UNL11111111111 -0.2052 19 C -2.3717 0.3074 -0.8504 C.ar 1 UNL11111111111 -0.1716 20 C 1.9171 2.2822 0.0668 C.ar 1 UNL11111111111 0.1365 21 C 3.1891 1.6686 -0.1153 C.ar 1 UNL11111111111 0.1548 22 C -2.1225 0.1196 1.5845 C.ar 1 UNL11111111111 -0.1279 23 C -3.5960 0.8774 -0.6084 C.ar 1 UNL11111111111 0.1321 24 C -4.0924 1.0730 0.7032 C.ar 1 UNL11111111111 0.1378 25 C -3.3799 0.7064 1.8189 C.ar 1 UNL11111111111 -0.1850 26 C -5.6262 1.8118 -0.7530 C.3 1 UNL11111111111 0.1575 27 C 4.1124 -2.9119 0.6126 C.3 1 UNL11111111111 -0.1952 28 C 2.0379 4.3891 -0.9202 C.3 1 UNL11111111111 -0.1976 29 C 4.7100 3.1530 0.8603 C.3 1 UNL11111111111 -0.1984 30 H 1.1128 -4.5706 -1.3137 H 1 UNL11111111111 0.1623 31 H 1.3278 -4.7460 0.4770 H 1 UNL11111111111 0.1513 32 H -0.1937 2.0025 0.2827 H 1 UNL11111111111 0.1905 33 H 4.2573 -0.1708 -0.4008 H 1 UNL11111111111 0.1878 34 H -1.9892 0.1451 -1.8535 H 1 UNL11111111111 0.1825 35 H -1.5228 -0.1946 2.4392 H 1 UNL11111111111 0.1652 36 H -3.7608 0.8498 2.8242 H 1 UNL11111111111 0.1738 37 H -6.4915 1.1750 -0.9857 H 1 UNL11111111111 0.1439 38 H -5.7430 2.8847 -0.9558 H 1 UNL11111111111 0.1395 39 H 3.5515 -3.7026 1.1189 H 1 UNL11111111111 0.1289 40 H 4.3004 -2.0710 1.2871 H 1 UNL11111111111 0.1325 41 H 5.0541 -3.3016 0.2059 H 1 UNL11111111111 0.1509 42 H 3.0479 4.2122 -1.3058 H 1 UNL11111111111 0.1439 43 H 1.9265 5.4225 -0.5713 H 1 UNL11111111111 0.1468 44 H 1.2828 4.1501 -1.6758 H 1 UNL11111111111 0.1354 45 H 4.9433 2.4794 1.6901 H 1 UNL11111111111 0.1303 46 H 3.9309 3.8682 1.1455 H 1 UNL11111111111 0.1483 47 H 5.6115 3.6740 0.5154 H 1 UNL11111111111 0.1480 @BOND 1 1 14 1 2 1 16 1 3 2 13 1 4 2 27 1 5 3 23 1 6 3 26 1 7 4 24 1 8 4 26 1 9 5 20 1 10 5 28 1 11 6 21 1 12 6 29 1 13 7 16 2 14 8 9 ar 15 8 11 ar 16 8 15 1 17 9 10 ar 18 9 16 1 19 10 13 ar 20 10 14 1 21 11 12 ar 22 11 17 ar 23 12 13 ar 24 12 18 ar 25 14 30 1 26 14 31 1 27 15 19 ar 28 15 22 ar 29 17 20 ar 30 17 32 1 31 18 21 ar 32 18 33 1 33 19 23 ar 34 19 34 1 35 20 21 ar 36 22 25 ar 37 22 35 1 38 23 24 ar 39 24 25 ar 40 25 36 1 41 26 37 1 42 26 38 1 43 27 39 1 44 27 40 1 45 27 41 1 46 28 42 1 47 28 43 1 48 28 44 1 49 29 45 1 50 29 46 1 51 29 47 1