REMARK  Name = BDB045694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.639  -1.346   0.192  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.595  -0.455  -0.094  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.739  -0.784   0.235  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.062  -2.003   0.854  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -2.314  -2.352   1.172  0.00  0.00    -0.239 NA
ATOM      6  CA  LIG    1       -3.358  -1.516   0.895  0.00  0.00    +0.158 A 
ATOM      7  C   LIG    1       -3.143  -0.254   0.310  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -3.963   0.882  -0.034  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.129   1.843  -0.607  0.00  0.00    +0.066 A 
ATOM     10  N   LIG    1       -1.857   1.331  -0.600  0.00  0.00    -0.352 N 
ATOM     11  H   LIG    1       -1.051   1.830  -0.950  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -3.600   3.080  -1.067  0.00  0.00    +0.065 A 
ATOM     13 CL   LIG    1       -2.533   4.228  -1.772  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1       -4.958   3.365  -0.936  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -5.817   2.438  -0.356  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.334   1.204   0.099  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -0.020  -2.872   1.134  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1       -1.825   0.083  -0.024  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        1.309  -2.559   0.812  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  22
ATOM     20  C   LIG    1        4.939   0.517  -0.047  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.616   0.190   0.273  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        3.033  -1.018  -0.147  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        3.822  -1.899  -0.903  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.142  -1.581  -1.227  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.700  -0.374  -0.800  0.00  0.00    +0.045 A 
BRANCH  20  27
ATOM     26  C   LIG    1        6.705   2.095   0.162  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.359   1.728   0.433  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH   1  22
BRANCH   6  28
ATOM     28  C   LIG    1       -4.697  -2.041   1.243  0.00  0.00    +0.356 C 
ATOM     29  O   LIG    1       -5.014  -2.610   2.272  0.00  0.00    -0.243 OA
BRANCH  28  30
ATOM     30  OXT LIG    1       -5.577  -1.911   0.229  0.00  0.00    -0.476 OA
ATOM     31  HXT LIG    1       -6.366  -2.394   0.552  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH   6  28
TORSDOF 4