REMARK  Name = BDB013201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.679   0.059  -0.259  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.126  -0.923   0.619  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.769  -1.125   0.565  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.511  -2.137   1.443  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.623  -2.502   2.040  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.079  -0.412  -0.285  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.422   0.461  -1.115  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.644  -1.734   1.521  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.789   0.669  -1.077  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.594  -0.444  -0.290  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.261   0.108  -0.312  0.00  0.00    -0.273 N 
ATOM     12  N   LIG    1        6.097   1.442  -0.370  0.00  0.00    -0.170 NA
ATOM     13  C   LIG    1        4.759   1.613  -0.346  0.00  0.00    +0.136 A 
ATOM     14  C   LIG    1        4.084   0.359  -0.302  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        5.090  -0.583  -0.274  0.00  0.00    +0.117 A 
BRANCH  13  16
ATOM     16  C   LIG    1        4.170   2.989  -0.339  0.00  0.00    +0.392 C 
ATOM     17  F   LIG    1        3.619   3.296  -1.548  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1        3.158   3.097   0.568  0.00  0.00    -0.202 F 
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -1.437  -0.637  -0.276  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.820  -0.222  -1.125  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.223  -0.155   0.856  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.646  -0.597   0.699  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.576   0.112  -0.057  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.421   1.349  -0.860  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.894   1.659  -1.129  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.662   0.441  -1.000  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.875  -0.359  -0.213  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.308  -1.538   0.359  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.394  -2.262   1.125  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.084  -1.792   1.285  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.229  -2.519   2.019  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5