REMARK  Name = BDB049099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.374   1.290  -1.150  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.076   1.648   0.192  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.531   1.189  -0.030  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.362  -0.017  -0.847  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.381   0.367  -1.872  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.624  -0.400  -0.525  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.465  -1.167  -0.331  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        0.180  -0.642  -0.530  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.002   0.683  -0.937  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        1.142   1.471  -1.109  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.422   0.935  -0.908  0.00  0.00    +0.023 A 
BRANCH   6  17
ATOM     12  C   LIG    1        8.987  -1.518   0.977  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        8.130  -0.643   0.097  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1        6.842  -0.359   0.542  0.00  0.00    -0.300 N 
ATOM     15  C   LIG    1        5.976   0.435  -0.338  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1        5.017  -0.438  -1.164  0.00  0.00    +0.124 C 
ATOM     17  N   LIG    1        3.906  -0.915  -0.319  0.00  0.00    -0.328 N 
ATOM     18  C   LIG    1        4.077  -2.141   0.466  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1        5.495  -2.381   0.990  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        6.157  -1.135   1.579  0.00  0.00    +0.109 C 
ATOM     21  O   LIG    1        8.580  -0.207  -0.963  0.00  0.00    -0.276 OA
ENDBRANCH   6  17
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -1.847   3.038   0.654  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -2.186   3.179   2.072  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -2.535   4.063  -0.127  0.00  0.00    +0.104 C 
ENDBRANCH   2  22
BRANCH   4  25
ATOM     25  C   LIG    1       -4.603  -0.533  -1.428  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.520  -1.160  -0.400  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.159  -2.403   0.144  0.00  0.00    +0.128 A 
ATOM     28  F   LIG    1       -4.042  -3.020  -0.273  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.939  -3.039   1.105  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.112  -2.438   1.544  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -7.499  -1.207   1.014  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.718  -0.555   0.042  0.00  0.00    -0.043 A 
ATOM     33  C   LIG    1       -7.199   0.762  -0.503  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 5