REMARK Name = BDB025892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.199 -1.083 0.032 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.482 0.098 0.354 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.916 0.130 0.278 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.644 -1.006 -0.106 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.923 -2.167 -0.418 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.560 -3.277 -0.824 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.470 -2.212 -0.349 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.120 -0.948 -0.195 0.00 0.00 -0.038 C ATOM 9 C LIG 1 3.747 0.277 -0.821 0.00 0.00 +0.054 C ATOM 10 C LIG 1 5.208 0.035 -1.206 0.00 0.00 +0.114 C ATOM 11 N LIG 1 5.929 -0.635 -0.123 0.00 0.00 -0.281 N ATOM 12 C LIG 1 7.308 -0.492 -0.013 0.00 0.00 +0.305 C ATOM 13 N LIG 1 7.801 0.803 -0.144 0.00 0.00 -0.292 N ATOM 14 C LIG 1 9.240 0.939 -0.283 0.00 0.00 +0.133 C ATOM 15 C LIG 1 7.139 1.913 0.528 0.00 0.00 +0.133 C ATOM 16 O LIG 1 8.049 -1.454 0.190 0.00 0.00 -0.252 OA ATOM 17 C LIG 1 5.402 -1.943 0.237 0.00 0.00 +0.137 C ATOM 18 C LIG 1 3.900 -1.939 0.279 0.00 0.00 -0.004 C ENDBRANCH 4 8 BRANCH 1 26 ATOM 19 C LIG 1 -3.442 -2.572 -2.631 0.00 0.00 +0.026 C ATOM 20 C LIG 1 -4.219 -1.500 -1.848 0.00 0.00 +0.071 C ATOM 21 N LIG 1 -5.262 -2.022 -0.929 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 -6.025 -3.140 -1.460 0.00 0.00 +0.105 C ATOM 23 C LIG 1 -4.832 -2.102 0.489 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -5.530 -3.168 1.343 0.00 0.00 +0.026 C ATOM 25 C LIG 1 -3.292 -2.225 0.668 0.00 0.00 +0.123 C ATOM 26 N LIG 1 -2.608 -1.060 0.073 0.00 0.00 -0.325 N ATOM 27 C LIG 1 -3.236 -0.512 -1.157 0.00 0.00 +0.123 C ENDBRANCH 1 26 BRANCH 2 28 ATOM 28 N LIG 1 -1.264 1.194 0.779 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.252 0.958 0.835 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.850 2.456 1.118 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.286 2.908 1.118 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.988 3.320 1.535 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.827 4.042 0.587 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.839 4.801 1.052 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.098 4.905 2.511 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.019 5.585 2.943 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.246 4.195 3.320 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.414 4.278 4.317 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.211 3.422 2.854 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.523 3.923 -0.874 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.348 4.690 -1.635 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.259 4.300 -1.177 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.683 2.648 -1.315 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5