REMARK  Name = BDB039582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.510  -0.287  -0.324  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.541  -0.340   0.788  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.106  -0.239   0.224  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.269  -1.371  -0.662  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.929  -1.999  -1.262  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.123  -1.051  -1.532  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.604  -0.088   0.454  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        6.145   0.449  -0.708  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.802   0.392  -0.931  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.356   1.067  -2.198  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.878  -0.214  -0.048  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.418  -0.732   1.140  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.786  -0.675   1.400  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.188   0.869  -0.259  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.785   0.578  -0.348  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.219   0.975  -1.095  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.083  -0.008   0.685  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.596  -0.426   1.716  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.230  -0.949  -1.692  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.562  -0.511  -1.117  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.323  -1.400  -0.339  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.551  -0.998   0.187  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1       -5.294  -1.915   0.974  0.00  0.00    -0.322 N 
ATOM     24  H   LIG    1       -4.928  -2.840   1.147  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.524  -1.647   1.556  0.00  0.00    +0.258 A 
ATOM     26  C   LIG    1       -7.028  -0.311   1.298  0.00  0.00    +0.064 A 
ATOM     27  C   LIG    1       -6.314   0.632   0.517  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -7.054   1.790   0.463  0.00  0.00    +0.094 A 
ATOM     29  N   LIG    1       -8.199   1.571   1.194  0.00  0.00    -0.355 N 
ATOM     30  C   LIG    1       -9.252   2.540   1.393  0.00  0.00    +0.148 C 
ATOM     31  C   LIG    1       -8.196   0.297   1.706  0.00  0.00    +0.099 A 
ATOM     32  O   LIG    1       -7.116  -2.486   2.228  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -5.035   0.305  -0.068  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -4.287   1.190  -0.843  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.056   0.781  -1.365  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4