REMARK Name = BDB061255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.972 0.474 -1.572 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.187 1.102 -1.236 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.579 2.284 -1.873 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -3.851 2.906 -1.482 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.638 2.231 -0.443 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -4.167 1.094 0.087 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.242 3.945 -2.004 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -1.774 2.850 -2.866 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -0.581 2.237 -3.224 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.965 0.508 -0.269 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.191 1.063 -2.583 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.901 0.368 1.140 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.211 -0.133 2.255 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.888 -0.833 3.256 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -6.256 -1.042 3.146 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.962 -0.564 2.048 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -6.283 0.138 1.046 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -6.875 -1.731 4.145 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -7.822 -1.800 3.938 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -2.101 4.003 -3.527 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -2.963 4.326 -3.179 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.999 0.519 -2.982 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 1.238 -0.171 -2.324 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.587 -0.846 -0.926 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 5.070 -3.186 0.262 0.00 0.00 -0.268 OA ATOM 26 C LIG 1 4.740 -2.001 0.364 0.00 0.00 +0.265 C ATOM 27 N LIG 1 3.396 -1.629 0.462 0.00 0.00 -0.294 N ATOM 28 C LIG 1 2.372 -2.667 0.520 0.00 0.00 +0.123 C ATOM 29 C LIG 1 1.223 -2.419 -0.484 0.00 0.00 +0.104 C ATOM 30 N LIG 1 0.867 -0.996 -0.718 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 1.362 -0.151 0.389 0.00 0.00 +0.104 C ATOM 32 C LIG 1 2.899 -0.250 0.511 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 5.841 -0.973 0.358 0.00 0.00 +0.126 A ATOM 34 N LIG 1 5.601 0.256 0.886 0.00 0.00 -0.250 NA ATOM 35 C LIG 1 6.624 1.138 0.882 0.00 0.00 +0.111 A ATOM 36 C LIG 1 7.885 0.859 0.382 0.00 0.00 +0.020 A ATOM 37 C LIG 1 8.117 -0.405 -0.145 0.00 0.00 +0.004 A ATOM 38 C LIG 1 7.084 -1.339 -0.156 0.00 0.00 +0.033 A ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7