REMARK  Name = BDB002457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.314  -0.141  -0.409  0.00  0.00    +0.161 C 
ATOM      2  N   LIG    1       -1.013  -1.112   0.422  0.00  0.00    -0.284 N 
ATOM      3  C   LIG    1       -0.419  -1.275   1.649  0.00  0.00    +0.283 C 
ATOM      4  O   LIG    1       -0.782  -1.942   2.594  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1        0.865  -0.459   1.606  0.00  0.00    +0.230 C 
ATOM      6  O   LIG    1        1.619  -0.318   2.552  0.00  0.00    -0.286 OA
ATOM      7  C   LIG    1        1.078   0.073   0.224  0.00  0.00    +0.164 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.259   3.781   1.654  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -1.955   2.925   0.490  0.00  0.00    +0.102 A 
ATOM     10  O   LIG    1       -1.232   1.801   0.744  0.00  0.00    -0.463 OA
ATOM     11  C   LIG    1       -1.078   1.144  -0.443  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1       -1.686   1.856  -1.456  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -2.254   3.004  -0.853  0.00  0.00    +0.045 A 
ENDBRANCH   1  11
BRANCH   7  14
ATOM     14  C   LIG    1        2.146  -0.702  -0.511  0.00  0.00    +0.176 C 
ATOM     15  O   LIG    1        1.861  -1.646  -1.246  0.00  0.00    -0.291 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.585  -0.316  -0.360  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.521  -0.927  -1.209  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1        5.872  -0.593  -1.127  0.00  0.00    +0.163 A 
ATOM     19  O   LIG    1        6.716  -1.217  -2.009  0.00  0.00    -0.485 OA
ATOM     20  C   LIG    1        7.995  -0.574  -2.058  0.00  0.00    +0.270 C 
ATOM     21  C   LIG    1        8.493  -0.258  -0.658  0.00  0.00    +0.270 C 
ATOM     22  O   LIG    1        7.623   0.681  -0.013  0.00  0.00    -0.485 OA
ATOM     23  C   LIG    1        6.308   0.331  -0.174  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1        5.387   0.949   0.666  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        4.028   0.628   0.577  0.00  0.00    +0.015 A 
ENDBRANCH  14  16
ENDBRANCH   7  14
BRANCH   2  26
ATOM     26  C   LIG    1       -2.273  -1.737   0.051  0.00  0.00    +0.110 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.496  -1.019   0.626  0.00  0.00    +0.034 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.786  -1.755   0.241  0.00  0.00    +0.085 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.995  -1.156   0.831  0.00  0.00    -0.308 NA
ATOM     30  C   LIG    1       -6.290   0.166   0.274  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -7.144  -2.044   0.631  0.00  0.00    +0.104 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 7