REMARK  Name = BDB057952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.179   2.069   2.451  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.547   0.726   2.598  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.846   0.398   3.001  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.745   1.438   3.292  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.357   2.776   3.182  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.069   3.097   2.760  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1        2.396   1.166  -1.963  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        2.974   2.395  -1.362  0.00  0.00    +0.125 C 
ATOM      9  C   LIG    1        2.836   2.424   0.171  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        1.463   2.174   0.629  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        1.172   2.403   1.967  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        1.977   2.855   2.776  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        0.503   1.786  -0.413  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        1.104   0.736  -1.366  0.00  0.00    +0.125 C 
BRANCH   7  16
ATOM     15  C   LIG    1        3.086  -0.978  -2.966  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        3.320   0.110  -2.109  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        4.474   0.177  -1.398  0.00  0.00    -0.239 NA
ATOM     18  C   LIG    1        5.384  -0.815  -1.512  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        5.216  -1.917  -2.324  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        4.046  -1.996  -3.065  0.00  0.00    +0.024 A 
BRANCH  15  22
ATOM     21  N   LIG    1        0.939  -1.246  -4.391  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        1.904  -1.089  -3.765  0.00  0.00    +0.103 C 
ENDBRANCH  15  22
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.297  -1.042   3.094  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.260  -1.406   1.968  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -2.739  -1.832   0.642  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -3.673  -2.021  -0.375  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -3.264  -2.384  -1.665  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -1.911  -2.574  -1.935  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -0.973  -2.417  -0.916  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.105  -1.856  -0.076  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -5.962  -2.012  -0.939  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.418  -1.535   1.221  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -6.401  -1.411   1.444  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -1.382  -2.045   0.369  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -4.532  -1.283   2.220  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5