REMARK  Name = BDB057327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.794  -0.554  -0.218  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.206   0.424  -1.256  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -0.322   0.392  -1.256  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -0.892   0.677   0.137  0.00  0.00    +0.072 C 
ATOM      5  C   LIG    1       -0.312  -0.295   1.171  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1        1.217  -0.261   1.181  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        8.222   0.452   0.926  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        7.439  -0.821   0.722  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1        6.085  -0.692   0.439  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1        5.360  -1.906   0.059  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        3.844  -1.796   0.302  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        3.265  -0.582  -0.313  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1        3.955   0.606   0.225  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        5.476   0.557  -0.028  0.00  0.00    +0.123 C 
ATOM     15  O   LIG    1        7.997  -1.913   0.825  0.00  0.00    -0.276 OA
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  N   LIG    1       -2.339   0.535   0.119  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -2.670  -0.415   0.050  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.199   1.518  -0.319  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -4.603   1.296  -0.562  0.00  0.00    +0.108 A 
ATOM     20  N   LIG    1       -5.329   2.383  -0.969  0.00  0.00    -0.235 N 
ATOM     21  C   LIG    1       -6.638   2.032  -1.131  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1       -6.762   0.699  -0.825  0.00  0.00    +0.026 A 
ATOM     23  N   LIG    1       -4.840   3.613  -1.177  0.00  0.00    -0.155 NA
ATOM     24  C   LIG    1       -3.572   3.712  -0.942  0.00  0.00    +0.245 A 
ATOM     25  C   LIG    1       -5.467   0.202  -0.474  0.00  0.00    -0.015 A 
ATOM     26  N   LIG    1       -2.733   2.717  -0.519  0.00  0.00    -0.217 NA
BRANCH  25  27
ATOM     27  C   LIG    1       -5.158  -1.222  -0.072  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.080  -1.361   1.451  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -6.153  -2.245  -0.633  0.00  0.00    +0.012 C 
ENDBRANCH  25  27
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4