REMARK Name = BDB009475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.704 -0.026 -1.135 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.851 -1.284 -1.720 0.00 0.00 +0.135 A ATOM 3 F LIG 1 2.033 -1.921 -1.711 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.225 -1.916 -2.340 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.472 -1.293 -2.379 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.652 -0.031 -1.795 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.554 0.598 -1.185 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 1.628 1.819 -0.002 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.818 0.695 -0.456 0.00 0.00 +0.247 C ATOM 10 N LIG 1 3.035 0.052 -0.370 0.00 0.00 -0.308 N ATOM 11 H LIG 1 3.159 -0.825 -0.866 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 4.218 0.713 0.166 0.00 0.00 +0.076 C ATOM 13 C LIG 1 4.827 1.685 -0.857 0.00 0.00 +0.037 C ATOM 14 C LIG 1 6.356 1.663 -0.850 0.00 0.00 +0.082 C ATOM 15 N LIG 1 6.893 1.603 0.506 0.00 0.00 -0.316 NA ATOM 16 H LIG 1 6.579 2.425 1.024 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 6.474 0.393 1.221 0.00 0.00 +0.082 C ATOM 18 C LIG 1 5.248 -0.311 0.635 0.00 0.00 +0.037 C ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 19 ATOM 19 C LIG 1 -3.002 0.647 -1.832 0.00 0.00 +0.094 C BRANCH 19 20 ATOM 20 C LIG 1 -4.094 -0.157 -1.137 0.00 0.00 +0.087 A ATOM 21 C LIG 1 -4.133 -0.199 0.367 0.00 0.00 +0.059 A ATOM 22 N LIG 1 -3.227 0.504 1.150 0.00 0.00 -0.342 N ATOM 23 H LIG 1 -2.772 1.295 0.704 0.00 0.00 +0.146 HD ATOM 24 C LIG 1 -3.436 0.658 2.584 0.00 0.00 +0.102 C ATOM 25 C LIG 1 -3.969 -0.652 3.158 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -5.221 -1.121 2.405 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -5.090 -0.966 0.914 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -6.058 -1.684 0.057 0.00 0.00 +0.270 A ATOM 29 O LIG 1 -6.953 -2.375 0.532 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -5.902 -1.522 -1.294 0.00 0.00 -0.243 N ATOM 31 H LIG 1 -6.557 -2.008 -1.897 0.00 0.00 +0.192 HD ATOM 32 N LIG 1 -4.937 -0.784 -1.906 0.00 0.00 -0.174 NA ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 4