REMARK  Name = BDB039573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.491  -0.338  -0.333  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.460   0.693  -0.557  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.081   0.142  -0.131  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.370  -1.025  -0.931  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.782  -1.744  -1.521  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.088  -1.717  -0.692  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.529   0.568  -0.859  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        6.202  -0.418   0.017  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.877  -0.682   0.190  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.584  -1.730   1.228  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.840  -0.019  -0.508  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.247   0.997  -1.387  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.596   1.297  -1.572  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.243   0.104  -0.340  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.811   0.080  -0.231  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.345  -0.640   0.316  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.992   0.845  -1.035  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.397   1.676  -1.838  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.217  -1.926  -0.134  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.522  -1.286   0.297  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.421  -0.796  -0.663  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.623  -0.211  -0.265  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1       -5.508   0.280  -1.248  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1       -5.271   0.211  -2.227  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.721   0.877  -0.963  0.00  0.00    +0.273 A 
ATOM     26  C   LIG    1       -7.030   0.965   0.446  0.00  0.00    +0.115 A 
ATOM     27  N   LIG    1       -8.151   1.500   1.033  0.00  0.00    -0.345 N 
ATOM     28  C   LIG    1       -9.267   2.095   0.331  0.00  0.00    +0.149 C 
ATOM     29  C   LIG    1       -8.053   1.385   2.398  0.00  0.00    +0.086 A 
ATOM     30  C   LIG    1       -6.855   0.769   2.693  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -6.210   0.504   1.463  0.00  0.00    +0.014 A 
ATOM     32  O   LIG    1       -7.445   1.285  -1.867  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -4.947  -0.113   1.103  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -4.058  -0.603   2.060  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -2.852  -1.187   1.658  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4