REMARK  Name = BDB054896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.470  -0.551  -0.719  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.520   0.361  -1.186  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.679  -0.083  -1.771  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1       -0.925  -1.457  -1.869  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.019  -2.373  -1.412  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.211  -1.922  -0.843  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.156   1.087   0.154  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        2.696  -0.183  -0.128  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.298  -0.953   0.148  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.530   2.125  -0.020  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1        5.843  -0.901  -0.174  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1        5.576   0.268   0.604  0.00  0.00    +0.117 A 
ATOM     13  N   LIG    1        6.588   0.701   1.415  0.00  0.00    -0.234 N 
ATOM     14  C   LIG    1        6.223   1.861   2.034  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        4.942   2.166   1.638  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        7.765   0.078   1.576  0.00  0.00    -0.155 NA
ATOM     17  C   LIG    1        7.894  -0.995   0.863  0.00  0.00    +0.245 A 
ATOM     18  C   LIG    1        4.493   1.131   0.755  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1        6.979  -1.509  -0.021  0.00  0.00    -0.217 NA
BRANCH  11  20
ATOM     20  N   LIG    1        4.980  -1.433  -1.090  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1        5.455  -2.114  -1.678  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        4.490  -0.747  -1.660  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -1.712   0.912  -2.238  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.634   1.239  -1.171  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -2.205   1.559  -0.317  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1       -3.818   0.544  -1.029  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1       -4.495   0.967   0.095  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1       -4.141   1.812   0.515  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1       -4.187  -0.306  -1.828  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -5.699   0.457   0.618  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1       -6.267   1.140   1.702  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1       -7.457   0.692   2.283  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -8.084  -0.446   1.784  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1       -9.548  -1.000   2.496  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1       -7.529  -1.137   0.711  0.00  0.00    +0.022 A 
ATOM     36  C   LIG    1       -6.337  -0.687   0.131  0.00  0.00    +0.025 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6