REMARK  Name = BDB064455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.911   3.634   0.508  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1       -0.413   3.688   0.677  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -1.106   2.558   0.527  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.506   1.338   0.210  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.316   0.182   0.041  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.707   0.229   0.203  0.00  0.00    -0.043 A 
ATOM      7  C   LIG    1       -3.283   1.456   0.534  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.892   1.379   0.078  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -2.485   2.595   0.688  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1        1.586   2.523   0.207  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.538  -1.026   0.012  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -4.271  -1.429   1.304  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -5.099  -2.697   1.104  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -6.069  -2.558  -0.065  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -5.351  -2.157  -1.350  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -4.524  -0.886  -1.161  0.00  0.00    +0.008 C 
ENDBRANCH   6  11
BRANCH   1  18
ATOM     17  C   LIG    1        1.032   5.993   0.203  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1        1.685   4.781   0.644  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1        2.564   4.571   0.184  0.00  0.00    +0.149 HD
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        1.592   0.183  -0.222  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1        1.329  -0.509   0.474  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.044   0.335  -0.327  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.691  -1.017  -0.679  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1        3.701  -1.996   0.513  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        5.064  -2.046   1.198  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1        6.126  -2.491   0.296  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1        7.028  -2.189   0.664  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.969  -2.041  -1.087  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        5.115  -0.785  -1.218  0.00  0.00    +0.020 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 5