REMARK  Name = BDB012434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.713  -0.623   0.783  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1        1.324  -0.490   0.702  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.106  -1.191   0.442  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -0.932  -0.210   0.551  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.375   1.153   0.883  0.00  0.00    +0.161 C 
ATOM      6  O   LIG    1        0.039  -2.388   0.221  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.050   0.813   0.963  0.00  0.00    +0.077 A 
ATOM      8  N   LIG    1        2.220   1.432   1.201  0.00  0.00    -0.268 N 
ATOM      9  C   LIG    1        2.464   2.822   1.492  0.00  0.00    +0.172 C 
ATOM     10  N   LIG    1        3.260   0.566   1.131  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.305  -0.462   0.454  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.239   0.449   0.794  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.601   0.205   0.708  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.521   1.259   1.109  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.117  -1.011   0.271  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.316  -1.269   0.203  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.104  -2.030  -0.137  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.630  -3.333  -0.651  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.796  -1.739  -0.041  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -0.659   2.218  -0.162  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.030   3.511   0.245  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.281   4.511  -0.698  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.157   4.230  -2.056  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.466   5.464  -3.215  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.783   2.959  -2.480  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.532   1.958  -1.538  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.559  -1.885  -0.342  0.00  0.00    +0.224 A 
ATOM     28  C   LIG    1        3.515  -1.819   0.585  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        3.243  -2.971   1.334  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        4.008  -4.119   1.145  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        5.024  -4.080   0.206  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1        5.314  -2.996  -0.543  0.00  0.00    -0.221 NA
BRANCH  27  34
ATOM     33  C   LIG    1        5.960  -0.901  -1.946  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        4.790  -0.783  -1.145  0.00  0.00    -0.479 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4