REMARK  Name = BDB052284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.330  -0.078   0.284  0.00  0.00    +0.118 A 
ATOM      2  N   LIG    1       -2.883  -0.540   1.498  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -1.589  -0.981   1.326  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -0.907  -1.562   2.460  0.00  0.00    +0.142 A 
ATOM      5  N   LIG    1       -1.510  -1.636   3.625  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1       -2.797  -1.154   3.748  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -1.300  -0.722   0.001  0.00  0.00    +0.100 A 
ATOM      8  C   LIG    1       -3.495  -0.625   2.734  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -2.405  -0.210  -0.645  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.059  -0.962  -0.707  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.168  -0.504  -0.209  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        2.359  -0.721  -0.888  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        2.315  -1.402  -2.120  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.520  -1.609  -2.796  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.712  -1.151  -2.240  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        4.680  -0.494  -1.013  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1        1.089  -1.846  -2.642  0.00  0.00    +0.010 A 
ATOM     18  N   LIG    1        3.511  -0.281  -0.354  0.00  0.00    -0.247 NA
ATOM     19  C   LIG    1       -0.092  -1.621  -1.938  0.00  0.00    +0.011 A 
BRANCH  16  20
ATOM     20  C   LIG    1        5.894   0.025  -0.346  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.829   1.169   0.472  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        6.964   1.682   1.107  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        8.195   1.056   0.943  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        8.289  -0.083   0.149  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.151  -0.593  -0.486  0.00  0.00    +0.010 A 
ENDBRANCH  16  20
ENDBRANCH   7  10
BRANCH   1  29
ATOM     26  C   LIG    1       -7.276   2.068  -0.645  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.772   2.308  -0.579  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1       -5.088   1.815   0.727  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -4.751   0.493   0.001  0.00  0.00    +0.061 C 
ATOM     30  C   LIG    1       -4.905   1.263  -1.332  0.00  0.00    +0.045 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -5.497   3.685  -0.906  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -5.665   3.761  -1.862  0.00  0.00    +0.210 HD
ENDBRANCH  27  31
ENDBRANCH   1  29
BRANCH   4  33
ATOM     33  N   LIG    1        0.352  -2.087   2.415  0.00  0.00    -0.341 N 
ATOM     34  H   LIG    1        0.551  -2.659   3.227  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        0.626  -2.519   1.542  0.00  0.00    +0.144 HD
ENDBRANCH   4  33
TORSDOF 5