REMARK Name = BDB041925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.617 -0.582 -0.088 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -2.949 -0.200 -0.769 0.00 0.00 +0.172 C ATOM 3 C LIG 1 -4.134 -0.627 0.143 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -5.053 0.158 0.397 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -4.127 -1.962 0.607 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -2.898 -2.637 0.549 0.00 0.00 +0.135 A ATOM 7 N LIG 1 -2.597 -3.978 0.776 0.00 0.00 -0.218 N ATOM 8 N LIG 1 -1.269 -4.120 1.055 0.00 0.00 -0.173 NA ATOM 9 C LIG 1 -0.723 -2.962 0.681 0.00 0.00 +0.141 A ATOM 10 C LIG 1 -1.689 -2.014 0.311 0.00 0.00 +0.022 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 1.892 0.458 -1.193 0.00 0.00 +0.034 A ATOM 12 C LIG 1 0.728 0.283 -0.440 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -0.378 -0.426 -0.953 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -0.289 -0.958 -2.248 0.00 0.00 +0.004 A ATOM 15 C LIG 1 0.870 -0.791 -3.004 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.954 -0.088 -2.479 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 3.190 1.785 0.483 0.00 0.00 +0.245 C ATOM 18 N LIG 1 3.020 1.169 -0.739 0.00 0.00 -0.282 N ATOM 19 H LIG 1 3.807 1.214 -1.373 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 2.416 1.815 1.431 0.00 0.00 -0.270 OA BRANCH 17 23 ATOM 21 C LIG 1 5.922 4.415 -0.274 0.00 0.00 +0.035 C ATOM 22 C LIG 1 4.720 3.528 -0.235 0.00 0.00 -0.020 C ATOM 23 C LIG 1 4.512 2.479 0.586 0.00 0.00 +0.024 C BRANCH 23 24 ATOM 24 C LIG 1 5.390 1.986 1.702 0.00 0.00 +0.124 C BRANCH 24 25 ATOM 25 N LIG 1 6.130 0.773 1.332 0.00 0.00 -0.292 NA ATOM 26 C LIG 1 6.750 0.117 2.508 0.00 0.00 +0.160 C ATOM 27 C LIG 1 8.044 -0.514 1.996 0.00 0.00 +0.262 C ATOM 28 F LIG 1 8.141 -1.825 2.290 0.00 0.00 -0.204 F ATOM 29 F LIG 1 9.114 0.109 2.550 0.00 0.00 -0.204 F ATOM 30 C LIG 1 8.036 -0.278 0.504 0.00 0.00 +0.092 C ATOM 31 C LIG 1 7.232 1.006 0.391 0.00 0.00 +0.091 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 7 32 ATOM 32 C LIG 1 -3.400 -5.141 0.608 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -2.995 -6.347 1.200 0.00 0.00 +0.028 A ATOM 34 C LIG 1 -3.755 -7.505 1.027 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.908 -7.472 0.245 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.298 -6.285 -0.374 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -4.543 -5.122 -0.201 0.00 0.00 +0.028 A ENDBRANCH 7 32 BRANCH 2 38 ATOM 38 N LIG 1 -3.040 1.234 -1.036 0.00 0.00 -0.297 N ATOM 39 H LIG 1 -3.385 1.844 -0.296 0.00 0.00 +0.150 HD ATOM 40 C LIG 1 -3.044 1.753 -2.319 0.00 0.00 +0.282 C ATOM 41 O LIG 1 -2.852 1.065 -3.316 0.00 0.00 -0.267 OA BRANCH 40 42 ATOM 42 C LIG 1 -3.317 3.239 -2.393 0.00 0.00 +0.216 A ATOM 43 N LIG 1 -3.531 3.870 -1.214 0.00 0.00 -0.219 NA ATOM 44 C LIG 1 -3.771 5.206 -1.276 0.00 0.00 +0.147 A ATOM 45 C LIG 1 -3.802 5.885 -2.486 0.00 0.00 +0.052 A ATOM 46 C LIG 1 -3.569 5.141 -3.622 0.00 0.00 +0.115 A ATOM 47 N LIG 1 -3.324 3.822 -3.606 0.00 0.00 -0.232 NA BRANCH 44 48 ATOM 48 C LIG 1 -4.019 5.987 0.006 0.00 0.00 +0.434 C ATOM 49 F LIG 1 -3.887 5.247 1.142 0.00 0.00 -0.164 F ATOM 50 F LIG 1 -5.272 6.524 0.050 0.00 0.00 -0.164 F ATOM 51 F LIG 1 -3.164 7.041 0.142 0.00 0.00 -0.164 F ENDBRANCH 44 48 ENDBRANCH 40 42 ENDBRANCH 2 38 BRANCH 5 52 ATOM 52 C LIG 1 -5.220 -2.353 1.504 0.00 0.00 +0.112 C ATOM 53 C LIG 1 -4.987 -1.877 2.933 0.00 0.00 +0.025 C ENDBRANCH 5 52 TORSDOF 10