REMARK  Name = BDB039571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.447   1.466  -0.029  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.088   2.290   1.140  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.106   1.586   2.108  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.072   0.948   1.479  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.407   0.071   0.382  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.317   0.754  -0.664  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.063  -0.606  -0.183  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.609  -0.006  -1.306  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.439   0.682  -1.224  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.024   1.383  -2.489  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.663   0.779  -0.047  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.186   0.148   1.088  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.392  -0.551   1.029  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.558  -3.426   0.218  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.417  -2.562   0.382  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.545  -2.984   0.674  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.357  -1.354  -0.302  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.286  -0.922  -0.975  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.035   1.962   1.017  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.353   1.368   0.560  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.095   0.542   1.424  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.309   0.001   1.004  0.00  0.00    +0.052 A 
ATOM     23  N   LIG    1       -5.037  -0.836   1.886  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.671  -1.035   2.807  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.252  -1.433   1.586  0.00  0.00    +0.260 A 
ATOM     26  C   LIG    1       -6.752  -1.138   0.265  0.00  0.00    +0.085 A 
ATOM     27  C   LIG    1       -6.064  -0.312  -0.647  0.00  0.00    +0.107 A 
ATOM     28  N   LIG    1       -6.721  -0.185  -1.806  0.00  0.00    -0.171 NA
ATOM     29  N   LIG    1       -7.829  -0.936  -1.620  0.00  0.00    -0.273 N 
ATOM     30  C   LIG    1       -8.800  -1.041  -2.683  0.00  0.00    +0.172 C 
ATOM     31  C   LIG    1       -7.894  -1.530  -0.391  0.00  0.00    +0.122 A 
ATOM     32  O   LIG    1       -6.836  -2.150   2.392  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -4.796   0.289  -0.287  0.00  0.00    +0.026 A 
ATOM     34  C   LIG    1       -4.071   1.112  -1.147  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1       -2.853   1.651  -0.722  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4