REMARK  Name = BDB035114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.087   1.979   0.734  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -1.370   2.701   0.833  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -2.637   1.844   0.567  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -2.465   0.415   0.870  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1       -1.508   0.203   1.961  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.114   0.829   1.672  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.701  -0.373   0.985  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1       -4.499  -0.398  -0.349  0.00  0.00    +0.166 C 
ATOM      9  N   LIG    1       -5.800  -1.091  -0.245  0.00  0.00    -0.267 NA
ATOM     10  C   LIG    1       -6.428  -0.947   0.865  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1       -5.935  -0.208   2.054  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.619   0.037   2.111  0.00  0.00    -0.003 C 
BRANCH  10  13
ATOM     13  N   LIG    1       -7.677  -1.502   1.069  0.00  0.00    -0.271 N 
ATOM     14  H   LIG    1       -8.100  -1.401   1.981  0.00  0.00    +0.156 HD
ATOM     15  C   LIG    1       -8.488  -2.248   0.241  0.00  0.00    +0.215 C 
ATOM     16  O   LIG    1       -9.550  -2.683   0.690  0.00  0.00    -0.276 OA
ATOM     17  C   LIG    1       -8.061  -2.511  -1.175  0.00  0.00    +0.109 C 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.164   1.534  -0.649  0.00  0.00    +0.121 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.296  -0.682  -0.812  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        6.226   0.507   0.161  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        7.182   0.927   0.804  0.00  0.00    -0.275 OA
ATOM     22  N   LIG    1        4.979   1.045   0.391  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        5.042   1.841   1.015  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        4.054   1.156  -0.708  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1        3.947  -0.162  -1.485  0.00  0.00    +0.130 C 
ATOM     26  N   LIG    1        2.977  -0.066  -2.592  0.00  0.00    -0.286 NA
ATOM     27  C   LIG    1        1.890   0.552  -2.256  0.00  0.00    +0.110 C 
ATOM     28  C   LIG    1        1.608   1.230  -0.951  0.00  0.00    -0.018 C 
ATOM     29  C   LIG    1        2.696   1.546  -0.221  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1        5.339  -0.502  -2.006  0.00  0.00    +0.041 C 
BRANCH  19  32
ATOM     31  C   LIG    1        8.623  -1.611  -0.290  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        7.725  -0.937  -1.322  0.00  0.00    +0.009 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5