REMARK  Name = BDB013937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.647  -0.479  -0.871  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.725  -0.554   0.338  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.959   0.183   1.307  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.353  -1.441   0.317  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.722  -2.361  -0.739  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.137  -2.905  -1.717  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.405  -3.780  -2.700  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.749  -4.128  -2.736  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.596  -3.606  -1.782  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.632  -2.736  -1.874  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.088  -2.744  -0.808  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.373  -1.806  -0.944  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.301   1.184  -1.679  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.581   0.625  -0.653  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.534   1.069   0.261  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.299   0.701  -2.813  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.183   2.399  -1.289  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.371   3.497  -0.608  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.163   3.393  -2.296  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.793   2.956  -2.518  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.784   2.218  -3.231  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.139  -1.464   1.560  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.215  -0.404   1.842  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.689   0.622   0.948  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -3.679   1.528   1.429  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.182   2.563   0.621  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -3.735   2.732  -0.682  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -2.786   1.870  -1.196  0.00  0.00    +0.020 A 
ATOM     29 CL   LIG    1       -4.367   4.001  -1.654  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -4.185   1.410   2.724  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -3.747   0.407   3.578  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -2.279   0.839  -0.396  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -2.773  -0.492   3.153  0.00  0.00    +0.125 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -2.307  -1.520   3.939  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1       -2.679  -1.529   5.312  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6