REMARK  Name = BDB016970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.740   0.868  -1.247  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1       -1.854   0.814  -0.454  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -2.445  -0.400  -0.748  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -1.735  -1.046  -1.737  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.725  -0.257  -2.021  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.646  -0.935  -0.124  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -3.636  -2.258   0.172  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.723  -2.784   0.773  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -5.850  -2.051   1.084  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.853  -0.703   0.741  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.735  -0.118   0.146  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -7.050   0.100   1.052  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -7.650   0.016   2.108  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.422   0.902   0.034  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.969   0.729  -0.814  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1        0.224   1.943  -1.302  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.059   2.144  -0.023  0.00  0.00    +0.106 C 
BRANCH  17  19
ATOM     18  C   LIG    1        1.505  -0.069   0.927  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1        2.077   1.149   0.354  0.00  0.00    -0.299 NA
BRANCH  19  20
ATOM     20  C   LIG    1        3.034   0.861  -0.722  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.308   0.207  -0.228  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        5.142   0.877   0.683  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.320   0.282   1.134  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.667  -0.982   0.674  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        7.799  -1.554   1.106  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        5.857  -1.663  -0.227  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        4.678  -1.070  -0.680  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8