REMARK  Name = BDB020575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.197   1.403  -1.225  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -4.016   1.875  -0.383  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.871   0.992  -0.536  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.857   1.257  -1.419  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.976   0.208  -1.277  0.00  0.00    +0.097 A 
ATOM      6  N   LIG    1       -1.433  -0.663  -0.317  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.899   2.465  -2.264  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -2.537   3.544  -1.523  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.267   4.895  -1.982  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.582  -0.180   0.116  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -3.671   3.321  -0.748  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -4.404   4.239  -0.372  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.274   0.007  -1.989  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.485  -0.280  -1.297  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.673  -0.484  -2.036  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.872  -0.760  -1.365  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.886  -0.830   0.025  0.00  0.00    +0.045 A 
ATOM     18  N   LIG    1        2.775  -0.624   0.762  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        2.646  -0.406  -3.438  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        1.459  -0.129  -4.110  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        1.620  -0.367   0.099  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.289   0.073  -3.388  0.00  0.00    +0.133 A 
ATOM     23  F   LIG    1       -0.833   0.336  -4.077  0.00  0.00    -0.205 F 
BRANCH  17  24
ATOM     24  C   LIG    1        5.180  -1.102   0.767  0.00  0.00    +0.042 C 
ATOM     25  C   LIG    1        5.764   0.214   1.306  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        6.696  -0.063   2.475  0.00  0.00    +0.160 C 
ATOM     27  O   LIG    1        6.051  -0.705   3.575  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        4.879  -1.453   3.243  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1        5.003  -2.139   1.891  0.00  0.00    +0.038 C 
ENDBRANCH  17  24
ENDBRANCH   5  13
BRANCH  10  30
ATOM     30  C   LIG    1       -3.441  -0.829   1.167  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -2.637  -1.061   2.458  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -2.146  -2.499   2.533  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -3.229  -3.431   2.572  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.363  -3.082   1.780  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -4.032  -2.144   0.630  0.00  0.00    +0.039 C 
ENDBRANCH  10  30
TORSDOF 3