REMARK  Name = BDB063349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.795  -1.307  -0.393  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.254  -1.907   0.753  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -0.073  -1.826   1.102  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -0.259  -2.484   2.231  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.950  -3.016   2.621  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.937  -1.097   0.231  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -0.340  -0.578  -0.867  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.842  -2.668   1.722  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.999  -0.656  -1.197  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.349  -0.941   0.466  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.156   0.234   0.319  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.465  -0.126   0.655  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.535   0.776   0.621  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.263   2.093   0.239  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.970   2.490  -0.089  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -4.444  -1.456   1.008  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -5.252  -1.981   1.315  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.911   1.575  -0.049  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -3.176  -1.956   0.901  0.00  0.00    +0.092 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        3.149  -1.431  -0.638  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        3.747  -1.578   0.169  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.811  -0.566  -1.607  0.00  0.00    +0.178 C 
BRANCH  22  25
ATOM     23  C   LIG    1        4.399   2.897  -0.405  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        3.626   2.032  -1.215  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.163   0.772  -1.060  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        5.215   0.815  -0.189  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        5.353   2.110   0.197  0.00  0.00    +0.195 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4