REMARK  Name = BDB031383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.521  -0.690  -0.486  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.573   0.439  -0.512  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.117  -0.053  -0.332  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.336  -1.017  -1.363  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.787  -1.868  -1.820  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.969  -2.011  -0.833  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.357  -0.307   1.122  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.797  -1.533   1.117  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.551  -1.626   0.595  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.017  -2.859   0.628  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.792  -0.561   0.060  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.438   0.684   0.093  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.722   0.823   0.625  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.003   0.670   1.409  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.617   0.615   1.014  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.391   0.868   0.062  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.734  -0.207   1.702  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.044  -0.828   2.711  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.459  -1.834  -0.871  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.716  -1.030  -0.637  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.322  -1.000   0.619  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -2.778  -1.684   1.639  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.488  -0.264   0.838  0.00  0.00    +0.087 A 
ATOM     24  N   LIG    1       -5.061  -0.263   2.136  0.00  0.00    -0.319 N 
ATOM     25  H   LIG    1       -4.612  -0.797   2.871  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.208   0.421   2.490  0.00  0.00    +0.260 A 
ATOM     27  C   LIG    1       -6.821   1.170   1.417  0.00  0.00    +0.085 A 
ATOM     28  C   LIG    1       -6.299   1.198   0.134  0.00  0.00    +0.083 A 
ATOM     29  N   LIG    1       -7.151   2.001  -0.581  0.00  0.00    -0.266 N 
ATOM     30  C   LIG    1       -7.095   2.377  -1.973  0.00  0.00    +0.173 C 
ATOM     31  N   LIG    1       -8.174   2.484   0.162  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -7.966   1.973   1.378  0.00  0.00    +0.148 A 
ATOM     33  O   LIG    1       -6.656   0.387   3.631  0.00  0.00    -0.267 OA
ATOM     34  C   LIG    1       -5.083   0.467  -0.217  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1       -4.482   0.436  -1.476  0.00  0.00    +0.012 A 
ATOM     36  C   LIG    1       -3.312  -0.307  -1.683  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4