REMARK  Name = BDB012320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.626  -1.945   0.183  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.367  -1.641   0.727  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        0.443  -2.722   0.431  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.373  -3.630  -0.247  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.617  -3.189  -0.389  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.105   0.824   0.599  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.893   0.125   0.664  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.841  -1.167   0.154  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -3.943  -1.748  -0.405  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -5.096  -1.053  -0.453  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -5.229   0.228   0.033  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.261   2.869   1.109  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.241   2.205   1.117  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -3.093   2.693   1.617  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -3.332   3.596   1.916  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.130  -0.494   1.377  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.176  -0.296   1.928  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.176   0.188   0.902  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.502  -0.265   0.943  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.439   0.195   0.014  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.070   1.121  -0.973  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        2.750   1.592  -0.999  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        1.814   1.132  -0.069  0.00  0.00    +0.007 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.088   1.634  -1.962  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1        6.041   0.711  -2.274  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        4.540   2.017  -3.149  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        5.761   2.721  -1.493  0.00  0.00    -0.166 F 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7