REMARK  Name = BDB007498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.439   1.409   0.511  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.690   0.255   0.836  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.718  -0.702   1.040  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.987  -1.679   0.990  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.099  -0.197   1.002  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -4.104   0.463   0.280  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -5.457   0.092   0.397  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.766  -0.971   1.266  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.771  -1.626   2.000  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.439  -1.237   1.873  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.498   0.795  -0.378  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -6.135   1.192  -1.625  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1       -7.052   1.840  -2.376  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -8.336   2.123  -1.948  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -8.702   1.720  -0.672  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -7.775   1.049   0.125  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.672  -0.426   0.712  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.593  -1.483   1.326  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.276  -2.765   0.750  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.809  -2.796  -0.072  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.099  -1.202   1.121  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.498  -1.395  -0.293  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.625  -0.110  -1.018  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        4.875   0.686  -0.707  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.019   0.063  -0.179  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.173   0.820   0.069  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.198   2.182  -0.226  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.073   2.799  -0.767  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.988  -1.400   0.180  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        4.918   2.055  -1.010  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.774  -2.128  -0.418  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7