REMARK  Name = BDB060016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.063  -3.208  -0.089  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.412  -1.935   0.113  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -2.468  -1.159   1.208  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -1.718  -0.106   1.216  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.001  -0.083  -0.116  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1       -1.482  -1.418  -0.741  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -1.102  -1.934  -1.783  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.559  -0.086   0.176  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.977   1.154   1.030  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1        2.484   1.145   1.345  0.00  0.00    -0.010 C 
ATOM     11  C   LIG    1        3.276   1.167   0.030  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1        2.924  -0.068  -0.812  0.00  0.00    -0.010 C 
ATOM     13  C   LIG    1        3.273  -1.337  -0.024  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1        2.484  -1.367   1.292  0.00  0.00    -0.010 C 
ATOM     15  C   LIG    1        2.833  -0.128   2.128  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1        1.417  -0.056  -1.125  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1        0.979  -1.361   0.980  0.00  0.00    +0.013 C 
ENDBRANCH   5   8
BRANCH   5  18
ATOM     18  C   LIG    1       -1.491   1.124  -0.942  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1       -1.466   1.124  -2.348  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -1.911   2.229  -3.080  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.387   3.358  -2.422  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.417   3.386  -1.032  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.973   2.281  -0.301  0.00  0.00    +0.006 A 
ENDBRANCH   5  18
BRANCH   3  24
ATOM     24  N   LIG    1       -3.266  -1.460   2.260  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1       -4.161  -1.873   2.033  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.353  -0.676   2.899  0.00  0.00    +0.145 HD
ENDBRANCH   3  24
TORSDOF 3