REMARK  Name = BDB050477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.473   2.811  -0.058  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -1.237   3.526  -0.990  0.00  0.00    +0.150 A 
ATOM      3 CL   LIG    1       -0.516   4.236  -2.387  0.00  0.00    -0.060 Cl
ATOM      4  N   LIG    1       -2.568   3.741  -0.908  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1       -3.193   3.219   0.169  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -2.554   2.472   1.155  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -1.166   2.285   1.032  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        1.831   1.992   0.546  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        0.925   2.665  -0.258  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        1.281   3.119  -1.095  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        1.564   1.426   1.600  0.00  0.00    -0.275 OA
BRANCH   8  15
ATOM     12  C   LIG    1        3.873  -1.172  -1.687  0.00  0.00    +0.403 C 
ATOM     13  N   LIG    1        3.851  -0.083  -0.850  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        3.381   1.216  -1.285  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        3.255   2.041  -0.005  0.00  0.00    +0.094 C 
ATOM     16  C   LIG    1        4.278   1.383   0.928  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1        4.210  -0.092   0.555  0.00  0.00    +0.112 C 
ATOM     18  O   LIG    1        3.527  -1.117  -2.861  0.00  0.00    -0.226 OA
BRANCH  12  19
ATOM     19  O   LIG    1        4.313  -2.287  -1.050  0.00  0.00    -0.445 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.406  -3.502  -2.896  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        4.397  -3.560  -1.744  0.00  0.00    +0.107 C 
ATOM     22  C   LIG    1        4.920  -4.545  -0.685  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1        3.015  -4.034  -2.211  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -3.284   1.946   2.369  0.00  0.00    +0.163 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.639   1.458   2.106  0.00  0.00    -0.289 N 
ATOM     26  C   LIG    1       -4.866   0.199   1.465  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1       -6.180  -0.230   1.230  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1       -6.453  -1.447   0.590  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -5.403  -2.260   0.175  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.089  -1.857   0.403  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.300   0.620   1.666  0.00  0.00    +0.262 A 
ATOM     32  O   LIG    1       -8.472   0.309   1.480  0.00  0.00    -0.267 OA
ATOM     33  N   LIG    1       -6.955   1.786   2.291  0.00  0.00    -0.274 N 
ATOM     34  H   LIG    1       -7.714   2.389   2.576  0.00  0.00    +0.173 HD
ATOM     35  C   LIG    1       -3.821  -0.639   1.044  0.00  0.00    +0.027 A 
ATOM     36  C   LIG    1       -5.696   2.266   2.502  0.00  0.00    +0.330 A 
ATOM     37  O   LIG    1       -5.565   3.381   3.009  0.00  0.00    -0.246 OA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 6