REMARK  Name = BDB005997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.012   1.320   1.382  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1       -3.849   0.711   0.921  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.187   0.694  -0.398  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -2.077  -0.136  -0.306  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.842  -0.582   1.052  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -3.545   1.315  -1.381  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.033  -0.050   1.777  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.349  -0.226   3.115  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -4.507   0.378   3.594  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -4.937   0.186   5.249  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -5.326   1.138   2.747  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.071  -0.226  -1.372  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.063   0.926  -1.267  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        1.206   0.619  -2.056  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        1.884  -0.616  -1.631  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        1.038  -1.550  -0.886  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.381  -1.594  -1.453  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.241  -0.388  -1.104  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        4.102  -1.672  -1.132  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        5.425  -1.547  -0.365  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1        5.795  -0.111  -0.054  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        6.031   0.547  -1.219  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        6.956  -0.075   0.644  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        4.713   0.621   0.725  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        3.288   0.255   0.292  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  29
ATOM     26  N   LIG    1       -5.871   2.224  -0.752  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -6.491   2.866  -1.228  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -5.054   1.911  -1.275  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -5.977   2.143   0.600  0.00  0.00    +0.242 C 
ATOM     30  O   LIG    1       -6.884   2.743   1.169  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3