REMARK  Name = BDB051677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.211  -0.847  -1.318  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -6.199  -0.863  -0.630  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -5.667   0.371   0.006  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.455   0.343   0.702  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -3.856   1.546   1.122  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -2.470   1.440   1.704  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -1.627   0.445   0.873  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -2.328  -0.801   0.469  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1       -1.865  -1.591  -0.584  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -2.519  -2.455  -1.158  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.529   2.756   0.957  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.772   2.773   0.320  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.703  -0.940   0.985  0.00  0.00    +0.125 C 
ATOM     14  C   LIG    1       -4.567  -2.181   0.674  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -6.330   1.589  -0.172  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -5.476  -2.014  -0.443  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -5.870  -2.838  -0.878  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.478  -1.397  -1.066  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        0.609  -1.560  -0.205  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        1.904  -1.385  -0.701  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        2.115  -1.117  -2.059  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.024  -0.980  -2.919  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.273  -1.120  -2.423  0.00  0.00    +0.013 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.046  -1.570   0.219  0.00  0.00    +0.247 C 
ATOM     25  N   LIG    1        3.989  -0.548   0.366  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1        5.158  -0.877   1.185  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1        6.273   0.175   1.310  0.00  0.00    +0.100 C 
ATOM     28  N   LIG    1        6.872   0.590   0.036  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1        7.820   0.921   0.221  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.130   1.673  -0.606  0.00  0.00    +0.082 C 
ATOM     31  C   LIG    1        4.756   1.276  -1.136  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1        3.781   0.839  -0.048  0.00  0.00    +0.109 C 
ATOM     33  O   LIG    1        3.104  -2.636   0.831  0.00  0.00    -0.270 OA
ENDBRANCH  20  24
ENDBRANCH   9  18
TORSDOF 2