REMARK  Name = BDB019117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.033  -0.154   0.627  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -0.445   0.626  -0.441  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.782   0.922  -0.620  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -1.825   1.693  -1.762  0.00  0.00    +0.166 A 
ATOM      5  N   LIG    1       -0.558   1.894  -2.269  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -2.682   0.401   0.348  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -2.139  -0.305   1.365  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        0.245   1.260  -1.442  0.00  0.00    +0.208 A 
ATOM      9  N   LIG    1       -0.799  -0.595   1.531  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.143   0.596   0.344  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -5.043  -0.373  -0.125  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.575  -1.688  -0.680  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1       -6.388  -0.187  -0.113  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1       -6.856   0.991   0.352  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -6.045   2.004   0.829  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.670   1.800   0.828  0.00  0.00    +0.012 A 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1        1.376  -0.434   0.748  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.517  -0.788   1.696  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.977  -1.407  -0.167  0.00  0.00    +0.142 C 
BRANCH  19  26
ATOM     20  C   LIG    1        5.636  -0.417   0.379  0.00  0.00    +0.156 A 
ATOM     21  C   LIG    1        6.231  -1.684   0.375  0.00  0.00    +0.168 A 
ATOM     22  F   LIG    1        7.558  -1.804   0.533  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        5.478  -2.838   0.205  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1        4.106  -2.727   0.040  0.00  0.00    +0.131 A 
ATOM     25  F   LIG    1        3.385  -3.842  -0.138  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        3.466  -1.482   0.054  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.251  -0.323   0.210  0.00  0.00    +0.056 A 
BRANCH  20  29
ATOM     28  C   LIG    1        5.924   1.942   0.586  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.490   0.638   0.548  0.00  0.00    -0.492 OA
ENDBRANCH  20  29
ENDBRANCH  19  26
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  30
ATOM     30  C   LIG    1       -2.971   2.272  -2.397  0.00  0.00    +0.121 C 
ATOM     31  N   LIG    1       -3.907   2.746  -2.896  0.00  0.00    -0.189 NA
ENDBRANCH   4  30
TORSDOF 6