REMARK  Name = BDB021900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.094  -0.097  -0.586  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1       -0.019  -1.256   0.404  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.386  -1.868   0.436  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        2.457  -0.912   0.119  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        2.126   0.440   0.570  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.934   0.987  -0.224  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.893   1.212  -1.695  0.00  0.00    +0.218 C 
ATOM      8  N   LIG    1       -1.443   0.452  -0.638  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1       -2.057   0.314   0.157  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.195   1.480  -2.671  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.297   1.779  -1.547  0.00  0.00    +0.130 C 
BRANCH  11  15
ATOM     12  C   LIG    1       -6.357   0.632   2.306  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.750   0.287   0.978  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -4.842   1.156   0.360  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -4.296   0.850  -0.896  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1       -4.685  -0.332  -1.539  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.599  -1.194  -0.936  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -6.132  -0.885   0.315  0.00  0.00    +0.003 A 
ENDBRANCH  11  15
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1        3.748  -1.388   0.640  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.941  -0.668   0.047  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        5.117  -0.607  -1.344  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        6.226   0.040  -1.893  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.173   0.628  -1.058  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.014   0.570   0.326  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.905  -0.077   0.877  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5