REMARK Name = BDB035317 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.087 -1.321 -0.058 0.00 0.00 +0.239 A ATOM 2 N LIG 1 -1.118 -1.690 -1.344 0.00 0.00 -0.216 NA ATOM 3 C LIG 1 -2.294 -1.944 -1.959 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -3.475 -1.820 -1.258 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -3.393 -1.417 0.058 0.00 0.00 +0.077 A ATOM 6 N LIG 1 -2.213 -1.177 0.663 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 4.554 -0.509 1.492 0.00 0.00 +0.033 A ATOM 8 N LIG 1 3.810 -0.885 0.388 0.00 0.00 -0.351 N ATOM 9 H LIG 1 4.197 -1.098 -0.526 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 2.482 -0.878 0.712 0.00 0.00 +0.131 A ATOM 11 C LIG 1 2.385 -0.505 2.018 0.00 0.00 +0.096 A ATOM 12 N LIG 1 1.171 -0.392 2.681 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 0.151 -0.676 1.921 0.00 0.00 +0.210 A ATOM 14 N LIG 1 0.154 -1.061 0.583 0.00 0.00 -0.234 N ATOM 15 C LIG 1 1.357 -1.189 -0.116 0.00 0.00 +0.285 A ATOM 16 O LIG 1 1.520 -1.518 -1.286 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.667 -0.269 2.531 0.00 0.00 +0.052 A BRANCH 7 18 ATOM 18 C LIG 1 6.046 -0.430 1.441 0.00 0.00 +0.137 C BRANCH 18 21 ATOM 19 C LIG 1 7.877 1.658 0.451 0.00 0.00 +0.146 C ATOM 20 C LIG 1 6.399 1.520 0.024 0.00 0.00 +0.117 C ATOM 21 N LIG 1 6.500 0.043 0.125 0.00 0.00 -0.292 NA ATOM 22 C LIG 1 7.978 0.157 0.102 0.00 0.00 +0.117 C BRANCH 19 24 ATOM 23 C LIG 1 8.513 3.936 -0.090 0.00 0.00 +0.194 C ATOM 24 O LIG 1 8.717 2.549 -0.320 0.00 0.00 -0.377 OA ENDBRANCH 19 24 ENDBRANCH 18 21 ENDBRANCH 7 18 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 -4.579 -1.221 0.905 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -5.662 -0.392 0.539 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -6.805 -0.281 1.340 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -6.857 -0.969 2.542 0.00 0.00 +0.124 A ATOM 29 F LIG 1 -7.941 -0.858 3.320 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -5.797 -1.766 2.955 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.667 -1.891 2.142 0.00 0.00 +0.013 A BRANCH 26 32 ATOM 32 C LIG 1 -5.645 0.401 -0.707 0.00 0.00 +0.248 C ATOM 33 N LIG 1 -4.709 1.396 -0.793 0.00 0.00 -0.286 N ATOM 34 C LIG 1 -3.991 2.131 0.235 0.00 0.00 +0.185 C ATOM 35 C LIG 1 -4.027 3.361 -0.692 0.00 0.00 +0.280 C ATOM 36 F LIG 1 -4.804 4.385 -0.262 0.00 0.00 -0.202 F ATOM 37 F LIG 1 -2.821 3.899 -0.994 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -4.649 2.466 -1.776 0.00 0.00 +0.185 C ATOM 39 O LIG 1 -6.444 0.129 -1.595 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 5 25 BRANCH 3 40 ATOM 40 C LIG 1 -2.225 -2.349 -3.418 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.196 -3.334 -4.024 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.258 -1.885 -4.417 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 7