REMARK  Name = BDB039669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.444  -0.402  -1.246  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.693  -0.830  -2.096  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        2.113  -0.673  -1.588  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        2.377  -0.015  -0.287  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        1.210   0.061   0.607  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1        1.630   0.139  -2.759  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -0.040   0.532  -0.172  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.682   0.027   0.223  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.795   0.111  -0.628  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        6.096   0.159  -0.240  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        6.316   0.126   1.100  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        5.301   0.052   2.041  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        3.978   0.004   1.591  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.747   0.180   1.544  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.658   0.220   0.510  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.264   0.305  -0.424  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       10.066   0.407   0.728  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.050   0.197   2.731  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.552   0.133  -2.052  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.020  -0.377   1.287  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -6.406  -1.782   1.271  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1       -6.962  -2.716   1.829  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -5.215  -1.906   0.601  0.00  0.00    -0.318 N 
ATOM     24  H   LIG    1       -4.785  -2.820   0.574  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.623  -0.802  -0.019  0.00  0.00    +0.087 A 
ATOM     26  C   LIG    1       -5.246   0.447   0.042  0.00  0.00    +0.177 A 
ATOM     27  N   LIG    1       -4.730   1.550  -0.533  0.00  0.00    -0.234 NA
ATOM     28  C   LIG    1       -3.555   1.406  -1.187  0.00  0.00    +0.118 A 
ATOM     29  C   LIG    1       -2.855   0.206  -1.296  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.416  -0.927  -0.696  0.00  0.00    +0.035 A 
ATOM     31  N   LIG    1       -6.462   0.645   0.708  0.00  0.00    -0.226 NA
BRANCH  20  33
ATOM     32  C   LIG    1       -8.911   1.159   2.018  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -8.335  -0.246   2.027  0.00  0.00    +0.058 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5