REMARK  Name = BDB017721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.818   0.819   3.441  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.350   0.447   2.369  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.123   0.527   1.101  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.507   1.117   1.180  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.076   1.497  -0.193  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.765   0.426  -1.234  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.333   0.181  -1.241  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.986  -0.401  -2.005  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.603   0.093  -0.065  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.237  -0.479  -0.093  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.507  -0.529   1.104  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.206  -1.045   1.149  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.599  -1.532  -0.015  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -1.324  -1.499  -1.214  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.619  -0.981  -1.244  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1       -3.265  -0.991  -2.422  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -3.085  -0.063   2.290  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -2.578  -0.103   3.163  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        0.807  -2.092   0.015  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.738  -1.357  -0.854  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.928   0.038  -0.390  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.225   0.710  -0.902  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.418  -0.058  -0.509  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        4.185  -1.457  -0.121  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        3.039  -2.060  -0.963  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.466   0.589   0.132  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        6.113  -0.052   1.133  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        7.149   0.577   1.744  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        7.597   1.838   1.401  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        8.914   2.567   2.221  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        6.952   2.493   0.367  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        5.883   1.861  -0.273  0.00  0.00    +0.045 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 3