REMARK  Name = BDB012526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.750  -0.630   0.390  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.703   0.429   0.615  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        0.518  -0.365   0.362  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        0.258  -1.653   0.013  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        1.477  -2.295  -0.215  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.473  -1.342  -0.004  0.00  0.00    +0.050 A 
ATOM      7  N   LIG    1        1.860  -0.153   0.387  0.00  0.00    -0.344 N 
ATOM      8  C   LIG    1        2.511   1.081   0.768  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1       -1.162  -1.877   0.013  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -1.678  -2.952  -0.240  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -6.460  -2.226   0.015  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -5.424  -1.225   0.417  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -5.915   0.028   1.065  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -7.115   0.190   1.269  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -4.932   0.956   1.397  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -5.327   2.210   2.020  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -3.583   0.726   1.173  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -3.113  -0.404   0.606  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -4.106  -1.394   0.215  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   6  20
ATOM     20  C   LIG    1        3.890  -1.444  -0.102  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.500  -0.814  -1.121  0.00  0.00    +0.080 A 
ATOM     22  C   LIG    1        5.976  -0.882  -1.292  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        6.495  -0.265  -2.218  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        6.665  -1.651  -0.358  0.00  0.00    -0.318 N 
ATOM     25  C   LIG    1        8.109  -1.780  -0.467  0.00  0.00    +0.152 C 
ATOM     26  C   LIG    1        6.017  -2.316   0.666  0.00  0.00    +0.089 A 
ATOM     27  C   LIG    1        4.690  -2.236   0.812  0.00  0.00    +0.028 A 
ENDBRANCH   6  20
BRANCH   2  28
ATOM     28  C   LIG    1       -0.817   1.623  -0.321  0.00  0.00    -0.021 A 
ATOM     29  C   LIG    1       -0.662   2.925   0.186  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -0.751   4.035  -0.658  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -0.990   3.854  -2.018  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -1.098   5.222  -3.055  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -1.139   2.573  -2.542  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -1.051   1.463  -1.699  0.00  0.00    +0.007 A 
ENDBRANCH   2  28
TORSDOF 3