REMARK  Name = BDB034531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.568  -0.875   1.053  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.607  -1.585   1.612  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1        1.745  -1.852   0.581  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        2.259  -0.540   0.075  0.00  0.00    -0.321 N 
ATOM      5  C   LIG    1        3.594  -0.308  -0.227  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        4.499  -1.316  -0.618  0.00  0.00    +0.089 A 
ATOM      7  C   LIG    1        4.030  -2.737  -0.824  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1        3.662  -3.438   0.365  0.00  0.00    -0.372 OA
ATOM      9  N   LIG    1        5.818  -1.099  -0.895  0.00  0.00    -0.243 NA
ATOM     10  C   LIG    1        6.288   0.162  -0.791  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1        5.489   1.230  -0.425  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        4.143   0.983  -0.148  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        1.282   0.567   0.046  0.00  0.00    +0.121 C 
ATOM     14  C   LIG    1        2.833  -2.704   1.268  0.00  0.00    +0.184 C 
ATOM     15  C   LIG    1       -0.168   0.044  -0.034  0.00  0.00    +0.103 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        7.741   0.363  -1.100  0.00  0.00    +0.262 C 
ATOM     17  N   LIG    1        8.051   1.519  -1.805  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        7.302   1.993  -2.292  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        9.396   1.736  -2.275  0.00  0.00    +0.128 C 
ATOM     20  O   LIG    1        8.587  -0.456  -0.759  0.00  0.00    -0.269 OA
ENDBRANCH  10  16
BRANCH   1  21
ATOM     21  C   LIG    1       -1.319  -0.207   2.127  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.421   0.738   0.039  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -7.003  -0.651  -0.348  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1       -7.757  -1.410  -0.949  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1       -5.735  -1.040  -0.001  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1       -5.467  -1.977  -0.272  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -4.844  -0.216   0.694  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -5.231   1.069   1.066  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1       -4.437   1.927   1.741  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1       -3.199   1.476   2.052  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -2.708   0.214   1.714  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1       -3.568  -0.652   1.026  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1       -6.571   1.529   0.718  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1       -8.932   1.555  -1.795  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.815   1.165  -0.328  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 4