REMARK  Name = BDB017006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.892   0.445   1.142  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.302   1.121   2.194  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.039   0.766   2.188  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.775  -0.102   1.171  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.944  -0.329   0.497  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.287  -0.192  -0.323  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.934  -0.371  -0.029  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.306   0.560   0.789  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.968   1.625   1.306  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        6.275   1.772   1.009  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.976   0.898   0.204  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.211  -1.054  -1.477  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.033  -1.137  -1.184  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.266  -2.141  -1.643  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.881  -2.678  -2.186  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.518  -0.682   0.868  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.335   0.213  -0.072  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.622  -0.384  -0.436  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1       -3.573  -0.505   0.695  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.922  -0.314   0.080  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -4.772   0.203  -1.206  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -5.872   0.506  -1.990  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -7.143   0.270  -1.460  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.293  -0.251  -0.165  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.175  -0.544   0.620  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.317   0.381  -1.500  0.00  0.00    +0.120 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6