REMARK  Name = BDB044925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 CL   LIG    1       -4.043  -1.346   3.439  0.00  0.00    -0.084 Cl
ATOM      2  C   LIG    1       -3.722  -0.510   1.968  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -2.684  -0.953   1.142  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -2.423  -0.264  -0.061  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -3.213   0.842  -0.381  0.00  0.00    +0.047 A 
ATOM      6  N   LIG    1       -2.760   1.329  -1.584  0.00  0.00    -0.360 N 
ATOM      7  H   LIG    1       -3.148   2.131  -2.062  0.00  0.00    +0.165 HD
ATOM      8  C   LIG    1       -1.710   0.577  -2.033  0.00  0.00    +0.087 A 
ATOM      9  C   LIG    1       -4.255   1.295   0.439  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.464  -0.426  -1.114  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.495   0.596   1.625  0.00  0.00    +0.022 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -0.392  -1.470  -1.205  0.00  0.00    +0.090 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.948  -0.976  -0.759  0.00  0.00    +0.021 A 
ATOM     14  N   LIG    1        1.110  -0.154   0.333  0.00  0.00    -0.358 N 
ATOM     15  H   LIG    1        0.355   0.207   0.900  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1        2.440   0.136   0.529  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.155  -0.524  -0.469  0.00  0.00    -0.000 A 
ATOM     18  C   LIG    1        4.557  -0.394  -0.498  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        5.191   0.392   0.471  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.451   1.042   1.456  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.058   0.927   1.504  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        2.209  -1.220  -1.271  0.00  0.00    +0.031 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
TORSDOF 2