REMARK  Name = BDB031800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.230  -0.126   0.679  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1       -1.016   0.421   0.149  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.001  -0.132   0.917  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.356   0.152   0.718  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.717   1.035  -0.319  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.692   1.607  -1.092  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -0.639  -0.939   1.814  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1       -0.220  -1.517   2.532  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.664   1.313  -0.880  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1       -1.973  -0.937   1.710  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.167   1.393  -0.548  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1        4.188   0.362  -0.987  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        5.555   0.316  -0.368  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.942  -1.028  -0.273  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        7.151  -1.439   0.253  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        8.021  -0.447   0.711  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        7.662   0.909   0.628  0.00  0.00    +0.039 A 
ATOM     18  N   LIG    1        4.933  -1.838  -0.797  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        4.968  -2.842  -0.888  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        6.430   1.283   0.088  0.00  0.00    +0.129 A 
ATOM     21  F   LIG    1        6.108   2.581   0.017  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        3.868  -1.088  -1.271  0.00  0.00    +0.228 C 
ATOM     23  O   LIG    1        2.877  -1.511  -1.841  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1        3.754   1.434  -1.944  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     25  N   LIG    1       -3.437   0.206   0.167  0.00  0.00    -0.279 N 
ATOM     26  H   LIG    1       -3.472   0.796  -0.655  0.00  0.00    +0.155 HD
BRANCH  25  28
ATOM     27  C   LIG    1       -5.815   0.290  -0.186  0.00  0.00    +0.178 A 
ATOM     28  C   LIG    1       -4.721  -0.342   0.413  0.00  0.00    +0.170 A 
ATOM     29  N   LIG    1       -4.883  -1.407   1.222  0.00  0.00    -0.214 NA
ATOM     30  C   LIG    1       -6.129  -1.849   1.446  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1       -6.287  -3.049   2.326  0.00  0.00    +0.088 C 
ATOM     32  N   LIG    1       -7.238  -1.318   0.905  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1       -7.050  -0.253   0.100  0.00  0.00    +0.162 A 
BRANCH  27  35
ATOM     34  C   LIG    1       -6.692   2.035  -1.538  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -5.559   1.360  -1.003  0.00  0.00    -0.490 OA
ENDBRANCH  27  35
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4