REMARK  Name = BDB057251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.919   0.415  -3.554  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.078   0.951  -2.561  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.345   2.303  -2.795  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -1.159   3.021  -1.939  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.698   2.362  -0.828  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.427   1.000  -0.570  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.421   2.804  -3.977  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -0.612   0.290  -1.462  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        0.845   1.490  -4.654  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.967   0.385   0.636  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -2.725   1.092   1.567  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -2.979   0.220   2.504  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -3.680   0.203   3.801  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -3.163  -1.123   4.416  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -2.696  -1.989   3.231  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -2.448  -0.995   2.211  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -1.792  -0.934   1.040  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     18  O   LIG    1        2.145  -1.916  -2.567  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        2.621  -0.814  -2.306  0.00  0.00    +0.218 C 
ATOM     20  N   LIG    1        2.221   0.358  -2.918  0.00  0.00    -0.308 N 
ATOM     21  H   LIG    1        2.519   1.220  -2.480  0.00  0.00    +0.149 HD
BRANCH  19  22
ATOM     22  C   LIG    1        3.661  -0.621  -1.216  0.00  0.00    +0.131 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.016  -0.638   0.152  0.00  0.00    -0.037 A 
ATOM     24  C   LIG    1        2.550   0.547   0.741  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        1.899   0.521   1.981  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1        1.361   2.026   2.637  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        1.706  -0.696   2.641  0.00  0.00    +0.059 A 
ATOM     28 CL   LIG    1        0.915  -0.809   4.173  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        2.162  -1.881   2.057  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        2.809  -1.852   0.819  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 4