REMARK  Name = BDB018788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.028   0.089   0.097  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.283  -0.633  -0.835  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        0.086  -0.771  -0.637  0.00  0.00    +0.074 A 
ATOM      4  N   LIG    1        0.871  -1.474  -1.565  0.00  0.00    -0.281 N 
ATOM      5  H   LIG    1        0.441  -2.010  -2.307  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.243  -1.550  -1.450  0.00  0.00    +0.242 C 
ATOM      7  C   LIG    1        2.890  -0.604  -0.413  0.00  0.00    +0.128 C 
ATOM      8  C   LIG    1        4.282  -1.105   0.007  0.00  0.00    +0.151 C 
ATOM      9  N   LIG    1        5.029   0.130   0.413  0.00  0.00    -0.267 N 
ATOM     10  C   LIG    1        4.340   1.308  -0.170  0.00  0.00    +0.119 C 
ATOM     11  N   LIG    1        2.028  -0.412   0.767  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        2.358   0.187   1.517  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        3.235   0.744  -1.055  0.00  0.00    +0.056 C 
ATOM     14  O   LIG    1        2.885  -2.266  -2.217  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1        0.680  -0.204   0.502  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1       -0.018   0.501   1.407  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1       -1.351   0.624   1.192  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -4.391  -2.139   0.162  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.488  -0.675  -0.050  0.00  0.00    -0.005 A 
ATOM     20  C   LIG    1       -3.465   0.264  -0.071  0.00  0.00    +0.073 A 
ATOM     21  N   LIG    1       -4.085   1.472  -0.303  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1       -3.465   2.769  -0.456  0.00  0.00    +0.173 C 
ATOM     23  N   LIG    1       -5.423   1.378  -0.410  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -5.665   0.077  -0.261  0.00  0.00    +0.138 A 
ENDBRANCH   1  20
BRANCH   9  25
ATOM     25  C   LIG    1        6.286   0.134   0.871  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1        7.375   0.142   1.260  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 2