REMARK  Name = BDB053098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.498   0.372   0.884  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1       -1.597   0.697  -0.007  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -2.587   1.344   0.927  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -2.067   1.368   2.221  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.750   1.910   3.293  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -4.013   2.448   3.042  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.553   2.435   1.742  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.839   1.883   0.672  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.733   0.763   2.189  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.006   0.664   3.150  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -2.163  -0.518  -0.736  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.402  -0.490  -2.122  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.933  -1.601  -2.784  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.236  -2.755  -2.067  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.890  -4.121  -2.882  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.013  -2.808  -0.695  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.482  -1.697  -0.033  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -1.117   1.679  -0.907  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.826   2.417  -0.348  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.764  -0.194   0.430  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.833   0.874   0.186  0.00  0.00    +0.054 C 
BRANCH  21  25
ATOM     22  C   LIG    1        5.550  -0.964  -1.056  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        4.615  -0.539  -2.002  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        3.410   0.047  -1.606  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.139   0.261  -0.250  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        4.098  -0.114   0.698  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.302  -0.699   0.292  0.00  0.00    +0.023 A 
BRANCH  22  28
ATOM     28  N   LIG    1        6.801  -1.441  -1.463  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1        7.272  -2.001  -0.760  0.00  0.00    +0.142 HD
ATOM     30  H   LIG    1        6.789  -1.893  -2.372  0.00  0.00    +0.142 HD
ENDBRANCH  22  28
ENDBRANCH  21  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6