REMARK  Name = BDB062461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.620   1.641   0.401  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.153   0.303  -0.039  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.252   0.293  -0.685  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.258   0.787   0.270  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.800   1.796   1.239  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.523   2.515   0.742  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.596   0.455   0.152  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.153  -0.130  -0.989  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        5.456  -0.484  -1.159  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        6.305  -0.256  -0.133  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        5.858   0.317   1.055  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.511   0.667   1.188  0.00  0.00    +0.026 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.772  -0.657  -0.291  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1        8.071  -1.918   0.523  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        8.167  -0.881  -1.757  0.00  0.00    +0.048 C 
BRANCH  13  16
ATOM     16  O   LIG    1        8.617   0.395   0.207  0.00  0.00    -0.383 OA
ATOM     17  H   LIG    1        8.339   1.207  -0.253  0.00  0.00    +0.211 HD
ENDBRANCH  13  16
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.574   1.539   1.516  0.00  0.00    +0.121 C 
BRANCH  18  28
ATOM     19  C   LIG    1       -7.244  -0.689  -0.795  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -6.821   0.481  -1.635  0.00  0.00    +0.252 A 
ATOM     21  O   LIG    1       -7.493   0.876  -2.582  0.00  0.00    -0.268 OA
ATOM     22  N   LIG    1       -5.643   1.097  -1.299  0.00  0.00    -0.321 N 
ATOM     23  H   LIG    1       -5.372   1.884  -1.873  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -4.834   0.676  -0.237  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -5.215  -0.418   0.536  0.00  0.00    +0.088 A 
ATOM     26  N   LIG    1       -4.494  -0.891   1.575  0.00  0.00    -0.253 NA
ATOM     27  C   LIG    1       -3.340  -0.239   1.848  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1       -2.867   0.862   1.133  0.00  0.00    -0.013 A 
ATOM     29  C   LIG    1       -3.646   1.328   0.066  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -6.462  -1.103   0.219  0.00  0.00    +0.038 A 
BRANCH  19  32
ATOM     31  C   LIG    1       -9.753  -0.604  -0.686  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -8.530  -1.373  -1.166  0.00  0.00    +0.037 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 6