REMARK  Name = BDB004911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.825  -0.894   0.495  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.791   0.066   0.459  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.488  -0.392   0.177  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.471   0.585   0.132  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.711   1.880   0.384  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.972   2.214   0.648  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.247  -1.773  -0.035  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.278  -2.701   0.009  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.017   1.379   0.688  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.566  -2.260   0.270  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.581   0.756   0.985  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.868   1.480   0.979  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.540   0.996   1.191  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.255  -0.550   0.773  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.127  -1.411   0.813  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.854   0.192  -0.162  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.851  -0.311  -1.046  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.824   1.284  -0.200  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.196   0.711  -0.446  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -3.917   1.050  -1.594  0.00  0.00    +0.163 A 
ATOM     21  F   LIG    1       -3.383   1.885  -2.498  0.00  0.00    -0.202 F 
ATOM     22  C   LIG    1       -5.187   0.525  -1.815  0.00  0.00    +0.159 A 
ATOM     23  F   LIG    1       -5.867   0.856  -2.922  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1       -5.765  -0.345  -0.898  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -5.061  -0.694   0.255  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.785  -0.169   0.479  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4