REMARK  Name = BDB007875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.792  -0.356   0.123  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1        1.854  -0.830   1.130  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        1.849  -0.665   2.340  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.861  -1.464   0.398  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        2.646  -1.337  -1.022  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        1.144  -1.163  -1.136  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.153  -1.899   0.013  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -2.461  -1.911   1.375  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -0.952  -1.752   1.207  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.598  -0.470   0.596  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -1.580   0.092  -0.329  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -2.493  -0.941  -0.990  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.669  -1.785   0.159  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1       -5.360  -2.788   0.344  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1       -6.770   1.937  -0.181  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -7.200   0.806  -0.874  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.503  -0.401  -0.746  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -5.364  -0.478   0.064  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -4.946   0.644   0.777  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -5.645   1.847   0.645  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -8.531   3.307  -1.003  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -7.354   3.173  -0.216  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        4.146  -1.814   0.985  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.218  -0.800   0.606  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1        5.913  -1.067  -0.539  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        5.748  -1.903  -1.079  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        6.874  -0.232  -1.016  0.00  0.00    +0.255 A 
ATOM     28  O   LIG    1        7.483  -0.485  -2.050  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        7.128   0.991  -0.213  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1        8.169   1.917  -0.759  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.388   1.151   0.902  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        6.550   2.320   1.841  0.00  0.00    +0.066 C 
ATOM     33  N   LIG    1        5.421   0.262   1.315  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6