REMARK  Name = BDB063341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.942  -1.404  -1.225  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1       -2.623  -0.998  -1.145  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -1.888  -2.097  -0.694  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -0.494  -1.965  -0.517  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.142  -0.739  -0.780  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -0.624   0.337  -1.243  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -2.797  -3.175  -0.517  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.008   0.231  -1.430  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -4.051  -2.723  -0.854  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.607  -0.581  -0.601  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        2.477   0.032  -1.545  0.00  0.00    +0.173 A 
ATOM     12  N   LIG    1        3.807   0.106  -1.212  0.00  0.00    -0.253 N 
ATOM     13  C   LIG    1        4.427   0.661  -2.293  0.00  0.00    +0.232 A 
ATOM     14  N   LIG    1        3.534   0.980  -3.203  0.00  0.00    -0.137 NA
ATOM     15  C   LIG    1        4.320  -0.348   0.005  0.00  0.00    +0.203 A 
ATOM     16  N   LIG    1        3.526  -0.918   0.870  0.00  0.00    -0.223 NA
ATOM     17  N   LIG    1        2.301   0.581  -2.731  0.00  0.00    -0.129 NA
ATOM     18  C   LIG    1        2.185  -1.011   0.545  0.00  0.00    +0.126 A 
BRANCH  15  19
ATOM     19  N   LIG    1        5.660  -0.211   0.293  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        5.869  -0.812   1.094  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        6.168   1.118   0.642  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.586   1.103   1.094  0.00  0.00    +0.122 A 
ATOM     23  O   LIG    1        7.845   0.418   2.246  0.00  0.00    -0.466 OA
ATOM     24  C   LIG    1        9.177   0.528   2.482  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1        9.780   1.273   1.495  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        8.752   1.645   0.595  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   5  10
BRANCH   1  27
ATOM     27  C   LIG    1       -5.064  -0.594  -1.692  0.00  0.00    +0.157 C 
BRANCH  27  31
ATOM     28  C   LIG    1       -5.771   2.036   2.561  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.303   1.115   1.502  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1       -5.474   0.698   0.451  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -5.957  -0.150  -0.559  0.00  0.00    -0.028 A 
ATOM     32  C   LIG    1       -7.297  -0.559  -0.513  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -8.132  -0.134   0.521  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -7.639   0.703   1.521  0.00  0.00    +0.003 A 
ENDBRANCH  27  31
ENDBRANCH   1  27
TORSDOF 6