REMARK  Name = BDB051638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.218   1.000   1.636  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.129   0.637   1.212  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.859   0.487  -0.246  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.553   0.241  -0.709  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.344  -0.001  -2.079  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.963  -0.364  -2.553  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.238  -1.132  -1.447  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -0.145  -0.326  -0.227  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.033  -0.052   0.467  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        1.017   0.627   1.495  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.416   0.084  -2.974  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.701   0.370  -2.510  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.390   0.289   0.275  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.873  -0.309   1.612  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.926   0.559  -1.147  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -3.098   0.326   2.065  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -3.332   0.339   3.050  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.326  -0.648  -0.082  0.00  0.00    +0.132 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.569  -0.211   0.664  0.00  0.00    -0.020 A 
ATOM     20  C   LIG    1        4.171   1.040   0.449  0.00  0.00    +0.045 A 
ATOM     21 CL   LIG    1        3.550   2.161  -0.713  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        5.309   1.415   1.169  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.856   0.550   2.116  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.265  -0.689   2.346  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.128  -1.067   1.629  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2