REMARK  Name = BDB016224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.185   1.510  -0.567  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -2.352   0.767  -0.253  0.00  0.00    +0.149 A 
ATOM      3  O   LIG    1       -2.117  -0.369   0.475  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.990  -1.464   0.211  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -4.229  -1.278   1.055  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -5.236  -0.441   0.331  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -4.866   0.646  -0.392  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -5.680   1.111  -0.777  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -6.440  -0.702   0.414  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.235  -2.724   0.630  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -3.614   1.231  -0.665  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -3.680   2.418  -1.418  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.535   3.147  -1.732  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -1.294   2.701  -1.299  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        1.236   1.030  -0.873  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1        0.140   1.061  -0.096  0.00  0.00    +0.012 C 
BRANCH  15  20
ATOM     17  C   LIG    1        5.112  -0.316   0.377  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        3.970  -0.956   0.857  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.699  -0.520   0.461  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.551   0.566  -0.411  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        3.701   1.192  -0.901  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.970   0.756  -0.505  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.602  -1.716   1.589  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        6.406  -0.638   0.682  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  15  20
ENDBRANCH   1  16
TORSDOF 3