REMARK  Name = BDB006582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.098   1.177   0.331  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -3.347   0.039   0.071  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -2.053   0.407  -0.245  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1       -1.965   1.784  -0.179  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.725   2.334  -0.466  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.303   1.523  -0.795  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1        0.119   0.188  -0.803  0.00  0.00    +0.222 A 
ATOM      8  N   LIG    1       -1.051  -0.432  -0.560  0.00  0.00    -0.196 NA
ATOM      9  C   LIG    1       -3.240   2.263   0.191  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -7.692   2.263   0.535  0.00  0.00    +0.132 C 
ATOM     11  N   LIG    1       -6.345   2.058   0.033  0.00  0.00    -0.302 N 
ATOM     12  C   LIG    1       -5.489   1.215   0.743  0.00  0.00    +0.263 C 
ATOM     13  O   LIG    1       -5.892   0.547   1.692  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -6.060   2.616  -1.281  0.00  0.00    +0.132 C 
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  C   LIG    1       -3.782  -1.349   0.086  0.00  0.00    +0.089 C 
ATOM     16  C   LIG    1       -3.896  -1.955   1.489  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -4.909  -3.077   1.318  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.928  -2.494   0.351  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -5.102  -1.675  -0.639  0.00  0.00    +0.025 C 
ENDBRANCH   2  15
BRANCH   7  20
ATOM     20  N   LIG    1        1.161  -0.668  -1.166  0.00  0.00    -0.268 N 
ATOM     21  H   LIG    1        0.817  -1.608  -1.029  0.00  0.00    +0.156 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.511  -0.549  -0.798  0.00  0.00    +0.125 A 
ATOM     23  N   LIG    1        2.921   0.361   0.100  0.00  0.00    -0.238 NA
ATOM     24  C   LIG    1        4.245   0.410   0.400  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1        5.246  -0.399  -0.148  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        4.781  -1.348  -1.057  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        3.422  -1.423  -1.387  0.00  0.00    +0.045 A 
BRANCH  25  28
ATOM     28  N   LIG    1        6.589  -0.270   0.235  0.00  0.00    -0.326 N 
ATOM     29  C   LIG    1        7.545  -1.309  -0.206  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        8.910  -1.129   0.495  0.00  0.00    +0.100 C 
ATOM     31  N   LIG    1        9.494   0.211   0.300  0.00  0.00    -0.313 NA
ATOM     32  H   LIG    1       10.339   0.290   0.865  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        8.521   1.225   0.749  0.00  0.00    +0.100 C 
ATOM     34  C   LIG    1        7.136   1.102   0.071  0.00  0.00    +0.120 C 
ENDBRANCH  25  28
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 5