REMARK  Name = BDB023860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.655   4.546   2.262  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.381   4.243   1.516  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.073   2.908   1.291  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.773   2.647   0.644  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.727   1.260   0.107  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.748   0.612  -0.688  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.094  -0.664  -0.920  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.296  -0.823  -0.326  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.689   0.298   0.344  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.911   0.536   1.150  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.699   1.790   2.027  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.663   5.163   1.122  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.495   1.164  -1.222  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        1.754   0.603  -0.919  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.910  -0.603  -0.034  0.00  0.00    +0.056 C 
ATOM     16  C   LIG    1        3.245  -0.543   0.694  0.00  0.00    +0.119 C 
ATOM     17  N   LIG    1        4.373  -0.391  -0.224  0.00  0.00    -0.264 N 
ATOM     18  C   LIG    1        4.261   0.545  -1.271  0.00  0.00    +0.251 C 
ATOM     19  O   LIG    1        5.171   0.911  -2.012  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        2.910   1.151  -1.504  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        2.811   2.264  -2.352  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.571   2.830  -2.631  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        0.419   2.278  -2.074  0.00  0.00    +0.010 A 
BRANCH  17  24
ATOM     24  C   LIG    1        5.602  -1.024   0.048  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        6.758  -1.004  -0.701  0.00  0.00    +0.131 A 
ATOM     26  N   LIG    1        7.678  -1.763  -0.041  0.00  0.00    -0.273 N 
ATOM     27  C   LIG    1        9.037  -2.026  -0.446  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.209  -2.300   1.098  0.00  0.00    -0.178 NA
ATOM     29  C   LIG    1        5.952  -1.850   1.150  0.00  0.00    +0.157 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.957  -2.115  -0.472  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.889  -2.944   0.812  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.765  -4.176   0.662  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -5.128  -3.889   0.354  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.410  -2.558  -0.066  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -4.378  -2.028  -1.048  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3