REMARK  Name = BDB021206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.405  -2.956  -0.006  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.138  -1.820  -0.240  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.339  -0.816   0.075  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        1.091  -1.272   0.455  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.039  -0.406   0.804  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.234   0.884   0.822  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.481   1.349   0.459  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.542   0.596   0.094  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        1.140  -2.647   0.438  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.809   1.269  -0.281  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        4.478   0.906  -1.459  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.675   1.529  -1.823  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.221   2.519  -1.010  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.577   2.883   0.170  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.380   2.260   0.535  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  N   LIG    1        3.362  -5.337  -0.372  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        2.954  -4.262  -0.210  0.00  0.00    +0.121 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -1.203  -0.896   1.142  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.753  -0.127   1.523  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.989  -1.642   0.163  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.415  -1.173   0.153  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.792   0.065  -0.362  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -2.966   1.164  -0.922  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.074   2.015  -1.542  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -5.321   1.723  -0.871  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.119   0.476  -0.339  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.124  -0.306   0.193  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.773  -1.554   0.706  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.436  -1.974   0.682  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.139  -3.180   1.187  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5