REMARK  Name = BDB018915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.338   0.117  -1.776  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.919   0.195  -1.129  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.024   0.808  -1.750  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.265   0.870  -1.093  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.438   0.339   0.193  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.356  -0.292   0.824  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.922   1.376  -3.142  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.477   1.606  -3.550  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.118  -0.352   0.151  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.347   0.369  -3.225  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -3.250   1.564   2.547  0.00  0.00    +0.138 C 
ATOM     12  N   LIG    1       -3.849   0.588   1.677  0.00  0.00    -0.273 N 
ATOM     13  C   LIG    1       -3.241   0.093   0.519  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -4.078  -0.843  -0.085  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.695  -1.478  -1.253  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -2.450  -1.152  -1.806  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.590  -0.203  -1.203  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -5.343  -0.994   0.728  0.00  0.00    +0.068 C 
ATOM     19  C   LIG    1       -6.579  -0.569  -0.064  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -5.491  -2.407   1.290  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -2.010   0.425  -0.017  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -5.100   0.003   1.887  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -5.870   0.229   2.810  0.00  0.00    -0.274 OA
ENDBRANCH   1  17
BRANCH   5  24
ATOM     24  C   LIG    1        4.738   0.451   0.821  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.898  -0.088   0.307  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.888   0.235   1.190  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.286  -0.106   1.093  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.452   0.945   2.246  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.144   1.085   2.015  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1        2.474  -0.901   2.198  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        1.433  -1.728   2.513  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        2.491   0.043   3.181  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 3