REMARK  Name = BDB045885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.900  -1.968   0.187  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -4.301  -0.641  -0.071  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -3.392   0.407   0.161  0.00  0.00    +0.118 A 
ATOM      4  N   LIG    1       -3.697   1.705  -0.060  0.00  0.00    -0.251 NA
ATOM      5  C   LIG    1       -4.934   1.992  -0.524  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -5.898   1.038  -0.784  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.120   0.092   0.640  0.00  0.00    +0.170 A 
ATOM      8  C   LIG    1       -1.696  -1.225   0.897  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1       -5.575  -0.294  -0.554  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.615  -2.257   0.668  0.00  0.00    +0.112 A 
ATOM     11 CL   LIG    1       -2.188  -3.914   0.959  0.00  0.00    -0.077 Cl
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1       -4.803  -2.981  -0.043  0.00  0.00    -0.505 OA
ATOM     13  H   LIG    1       -4.370  -3.820   0.209  0.00  0.00    +0.292 HD
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1       -1.248   1.143   0.860  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1       -1.770   1.943   0.637  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
BRANCH   8  16
ATOM     16  N   LIG    1       -0.413  -1.509   1.421  0.00  0.00    -0.254 NA
ATOM     17  C   LIG    1        0.603  -1.185   0.686  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.009  -1.451   1.153  0.00  0.00    +0.084 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.837  -0.213   1.055  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1        3.674   0.182  -0.039  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.247   1.410   0.295  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.125   2.094  -0.555  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        5.427   1.504  -1.786  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.872   0.280  -2.149  0.00  0.00    +0.001 A 
ATOM     25  N   LIG    1        3.779   1.748   1.543  0.00  0.00    -0.360 N 
ATOM     26  H   LIG    1        4.025   2.595   2.037  0.00  0.00    +0.165 HD
ATOM     27  C   LIG    1        3.995  -0.390  -1.287  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        2.933   0.781   2.010  0.00  0.00    +0.087 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  16
TORSDOF 5