REMARK  Name = BDB008996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.025  -0.526   1.072  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.959  -0.877   0.131  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        1.854  -1.936   0.357  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.730  -2.682   1.535  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.760  -2.353   2.479  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.106  -1.282   2.251  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.224   1.512   0.733  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -2.334   0.449   0.973  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.945   0.600   0.825  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -0.460   1.859   0.434  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.329   2.926   0.201  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.704   2.755   0.352  0.00  0.00    +0.005 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.716   1.323   0.915  0.00  0.00    +0.119 C 
BRANCH  13  16
ATOM     14  C   LIG    1       -5.691   1.550  -1.940  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -5.172   0.261  -1.296  0.00  0.00    +0.054 C 
ATOM     16  N   LIG    1       -5.255   0.187   0.170  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1       -6.649  -0.098   0.503  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -7.136  -0.989  -0.634  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -6.035  -0.938  -1.687  0.00  0.00    +0.020 C 
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        2.898  -2.308  -0.672  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.701  -1.118  -1.192  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        4.855  -0.598  -0.393  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        5.224  -1.217   0.926  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        6.222  -0.383   1.736  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        7.328   0.173   0.847  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        6.747   1.046  -0.267  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        5.536   0.437  -0.917  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.111   1.029  -2.210  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        5.695   1.989  -2.704  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        4.033   0.441  -2.812  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        3.727   0.829  -3.698  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        3.329  -0.617  -2.333  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5