REMARK  Name = BDB057059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.367   0.198   1.081  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.401  -0.653   0.659  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.640  -0.351   1.181  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.625   0.028   2.115  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.195  -1.600  -0.096  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.650  -0.417  -0.288  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        3.489  -0.210   1.158  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        2.124   0.360   1.562  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.008  -0.197   0.673  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.302   0.071  -0.816  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.765   0.441  -1.077  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.047  -0.306  -0.727  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.579  -2.786  -0.444  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        5.983  -1.357  -0.111  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -3.882  -0.869   0.757  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -4.073  -1.496  -0.477  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -5.341  -1.968  -0.859  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -6.422  -1.806   0.019  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -6.242  -1.168   1.245  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.979  -0.697   1.609  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.520  -2.665  -2.185  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -4.800  -2.093  -3.190  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -5.143  -3.972  -2.144  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -6.814  -2.666  -2.617  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -0.608   1.568   1.568  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.574   2.626   0.492  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1       -1.509   2.630  -0.548  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -1.438   3.629  -1.507  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1       -0.520   4.617  -1.494  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        0.369   4.605  -0.480  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        0.381   3.648   0.524  0.00  0.00    +0.025 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7