REMARK  Name = BDB015756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.427  -0.270   0.567  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.403  -1.315   0.547  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.702  -1.060   0.777  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.219   0.139   1.073  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.356   1.171   1.093  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.005   1.006   0.852  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.944   2.490   1.438  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.541   3.605   0.797  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.069   4.857   1.083  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.573   6.005   0.342  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.062   5.047   2.042  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.558   6.129   2.340  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.533   3.819   2.731  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.999   2.629   2.431  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.766  -0.566   0.320  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        1.791  -1.576   0.176  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.418   0.152  -0.785  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        1.903  -0.369  -2.131  0.00  0.00    +0.028 C 
BRANCH  17  19
ATOM     19  C   LIG    1        3.938  -0.057  -0.630  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.260   0.618  -1.341  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        4.771   0.766  -1.615  0.00  0.00    -0.002 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -2.614  -2.108   0.790  0.00  0.00    -0.420 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.240  -3.243   0.109  0.00  0.00    +0.170 A 
ATOM     24  C   LIG    1       -2.083  -3.224  -1.279  0.00  0.00    +0.166 A 
ATOM     25  F   LIG    1       -2.269  -2.089  -1.970  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1       -1.743  -4.381  -1.972  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -1.569  -5.574  -1.273  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -1.744  -5.606   0.114  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.092  -4.444   0.820  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1       -2.277  -4.486   2.309  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7