REMARK  Name = BDB020842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.795   0.102  -0.265  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        2.197  -0.913   0.535  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        0.842  -0.833   0.749  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.526  -1.922   1.509  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.611  -2.616   1.767  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.035   0.188   0.230  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.583   1.106  -0.519  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.667  -1.979   1.153  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.942   1.033  -0.752  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        4.968   1.260  -0.555  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1        6.433   1.288  -0.888  0.00  0.00    +0.187 C 
ATOM     12  O   LIG    1        7.006  -0.017  -0.985  0.00  0.00    -0.375 OA
ATOM     13  C   LIG    1        6.189  -0.905  -1.747  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1        4.873  -1.161  -1.013  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1        4.221   0.139  -0.602  0.00  0.00    -0.035 C 
ENDBRANCH   1  15
BRANCH   6  16
ATOM     16  N   LIG    1       -1.312   0.191   0.520  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.629  -0.301   1.348  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.154   1.317   0.164  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.579   0.998   0.531  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -4.375   0.176  -0.261  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.088  -0.455  -1.572  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.278  -1.411  -1.652  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.336  -0.923  -0.797  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.683  -0.117   0.099  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.257   0.381   1.249  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.474   1.192   2.070  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.146   1.494   1.719  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4