REMARK  Name = BDB047628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.839   2.237   1.390  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.802   0.920   0.607  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.409   0.554   0.401  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.810   1.385   0.279  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.088  -0.398  -0.589  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -2.930  -1.463  -0.985  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.489  -2.369  -1.974  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.224  -2.279  -2.547  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.361  -1.280  -2.130  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.224  -1.755  -0.502  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.714  -2.519  -0.951  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.980  -1.248   0.502  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.099  -1.738   0.686  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.774  -0.363  -1.150  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1       -4.468  -0.176   1.408  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.193   0.703  -0.751  0.00  0.00    +0.246 C 
ATOM     17  N   LIG    1        1.506   0.304  -0.614  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1        1.700  -0.687  -0.560  0.00  0.00    +0.150 HD
ATOM     19  O   LIG    1       -0.200   1.846  -0.539  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.528   1.207  -0.108  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1        2.924   2.256  -1.152  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        3.721   0.398   0.371  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        3.969   0.270   1.747  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.046  -0.488   2.211  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.886  -1.134   1.306  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.647  -1.026  -0.062  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.571  -0.269  -0.527  0.00  0.00    +0.005 A 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 3