REMARK  Name = BDB002232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.396   1.024   0.367  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.529   2.400   0.578  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1       -0.637   3.111   1.039  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -2.837   2.971   0.216  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -3.825   2.101  -0.246  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -5.069   2.630  -0.597  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -5.320   4.001  -0.487  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.324   4.859  -0.022  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -3.626   0.719  -0.364  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -3.077   4.346   0.333  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.460   0.231  -0.066  0.00  0.00    +0.161 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -2.259  -1.227  -0.176  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1       -2.287  -1.828  -1.431  0.00  0.00    +0.134 A 
ATOM     14  F   LIG    1       -2.430  -1.093  -2.544  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -2.148  -3.208  -1.553  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -1.983  -3.991  -0.409  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -1.956  -3.392   0.853  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.099  -2.008   0.974  0.00  0.00    +0.014 A 
ENDBRANCH  11  12
BRANCH   1  19
ATOM     19  N   LIG    1       -0.130   0.441   0.687  0.00  0.00    -0.220 N 
ATOM     20  H   LIG    1        0.275   1.032   1.422  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.780   0.511  -0.468  0.00  0.00    +0.143 C 
BRANCH  21  24
ATOM     22  C   LIG    1        4.321   0.347   0.932  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        3.059   0.804   0.552  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1        2.143  -0.037  -0.109  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        2.506  -1.367  -0.382  0.00  0.00    +0.125 A 
ATOM     26  C   LIG    1        3.773  -1.821  -0.000  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.675  -0.969   0.652  0.00  0.00    +0.049 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.398   0.858   1.968  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        5.102   1.276   1.561  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  25  30
ATOM     30  O   LIG    1        1.568  -2.130  -1.025  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1        1.879  -3.497  -1.255  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6