REMARK  Name = BDB021232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.279  -0.133  -0.254  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.944   0.459   1.008  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.704   0.153   1.538  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.627   0.760   2.770  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.808   1.450   2.905  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.228  -0.664   0.874  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.083  -1.206  -0.271  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.614   1.270   1.810  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.323  -0.919  -0.800  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.231  -2.273  -1.827  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.385  -0.812  -1.612  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.535   0.093  -0.916  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.190   1.304  -0.982  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        5.333   1.080  -1.687  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1        6.359   2.043  -2.005  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        5.467  -0.190  -2.103  0.00  0.00    -0.176 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        2.216   2.260   4.013  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        2.510   2.917   4.925  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.468  -0.915   1.417  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.905  -1.660   0.875  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.414   0.179   1.621  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.791  -0.216   1.171  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.125  -0.360  -0.174  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.285  -0.236  -1.391  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.386  -0.220  -2.451  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -5.566  -0.857  -1.912  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.404  -0.746  -0.556  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.400  -1.010   0.363  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.091  -0.864   1.715  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.804  -0.471   2.105  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.546  -0.344   3.414  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5