REMARK  Name = BDB031506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.014   0.591   1.364  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.410   0.530   1.718  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        1.111  -0.003   0.456  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -0.030  -0.555  -0.403  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -1.230  -0.594   0.529  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.871   0.623   2.553  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1       -9.267   2.741   0.382  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -7.829   2.488   0.702  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -6.842   3.487   0.176  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -7.197   4.459  -0.483  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -5.520   3.267   0.465  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -4.865   3.947   0.104  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -5.071   2.171   1.211  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -5.986   1.240   1.699  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -5.639   0.156   2.425  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -4.316  -0.002   2.669  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -3.321   0.868   2.222  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -3.721   1.986   1.478  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -7.404   1.433   1.419  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   3  20
ATOM     20  O   LIG    1        2.012  -1.042   0.847  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.017  -1.386  -0.007  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.949  -2.295   0.485  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        5.013  -2.760  -0.211  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        5.163  -2.300  -1.475  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        4.277  -1.400  -2.062  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        3.191  -0.939  -1.313  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.345  -2.827  -2.238  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        6.939  -1.944  -3.132  0.00  0.00    -0.305 N 
ATOM     29  H   LIG    1        6.737  -0.957  -3.030  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1        6.753  -3.971  -2.074  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1        8.212  -2.285  -3.763  0.00  0.00    +0.176 C 
BRANCH  31  32
ATOM     32  C   LIG    1        9.424  -1.739  -3.010  0.00  0.00    +0.358 C 
ATOM     33  F   LIG    1        9.426  -2.138  -1.717  0.00  0.00    -0.208 F 
ATOM     34  F   LIG    1        9.360  -0.379  -2.996  0.00  0.00    -0.208 F 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7