REMARK  Name = BDB044597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.212  -3.016   0.676  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.474  -2.378   0.707  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        3.646  -3.135   0.892  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        3.577  -4.523   0.995  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.343  -5.159   0.919  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.170  -4.412   0.765  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.275  -2.642   0.485  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        0.039  -2.226   0.565  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        0.206  -1.224   0.660  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.672  -3.802   0.491  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -4.295   0.463   0.286  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -4.558  -0.797   0.848  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.571  -1.789   0.903  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.288  -1.546   0.404  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -2.011  -0.306  -0.176  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -3.001   0.683  -0.227  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.718   1.185   0.825  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -5.355   1.576   0.210  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -5.611   1.949  -1.266  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -4.854   2.824   0.970  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   2  21
ATOM     21  C   LIG    1        2.579  -0.893   0.541  0.00  0.00    +0.250 C 
ATOM     22  N   LIG    1        3.689  -0.453  -0.162  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        4.255  -1.164  -0.608  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.670  -0.190   0.971  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.047   0.884  -0.444  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        5.157   1.089  -1.272  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.565   2.392  -1.594  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1        4.861   3.496  -1.115  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        3.765   3.296  -0.280  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        3.366   1.997   0.059  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.730   2.622  -2.473  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1        6.721   3.401  -3.407  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.806   1.897  -2.100  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        7.723   1.471  -1.227  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH   2  21
TORSDOF 7