REMARK  Name = BDB039572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.088  -0.002   0.754  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.122   0.070  -0.354  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.308   0.297   0.189  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.789  -0.733   1.140  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.333  -1.523   1.691  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.605  -0.689   1.973  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.197  -0.149   0.025  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.772   0.363   1.200  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.428   0.428   1.417  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.048   1.086   2.713  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.458  -0.039   0.500  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        3.963  -0.539  -0.711  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.334  -0.601  -0.958  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.530   0.309  -1.708  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.118   0.179  -1.446  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.481   0.710  -2.026  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.679  -0.201  -0.184  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.440  -0.546   0.713  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.806  -1.621   0.561  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.129  -0.929   0.297  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.766  -1.065  -0.947  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.994  -0.441  -1.177  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1       -5.613  -0.587  -2.440  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -5.175  -1.135  -3.165  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.824  -0.011  -2.769  0.00  0.00    +0.273 A 
ATOM     26  C   LIG    1       -7.420   0.761  -1.712  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -6.881   0.951  -0.455  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.778   1.767   0.273  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.839   2.051  -0.563  0.00  0.00    +0.084 A 
ATOM     30  N   LIG    1       -8.611   1.434  -1.769  0.00  0.00    -0.356 N 
ATOM     31  H   LIG    1       -9.216   1.462  -2.580  0.00  0.00    +0.165 HD
ATOM     32  O   LIG    1       -7.327  -0.162  -3.878  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -5.607   0.324  -0.161  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -4.983   0.452   1.080  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.754  -0.175   1.306  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4