REMARK  Name = BDB049664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.178  -0.984  -0.643  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.375  -0.275  -0.465  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.298   0.749   0.455  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.661   0.575   1.217  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.409  -0.571  -1.059  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.260   1.755   0.677  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -4.258   2.082  -0.247  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.179   3.111   0.021  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1       -5.076   3.805   1.223  0.00  0.00    +0.135 A 
ATOM     10  F   LIG    1       -5.940   4.789   1.506  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.080   3.504   2.145  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -3.169   2.483   1.870  0.00  0.00    +0.026 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -6.262   3.480  -0.945  0.00  0.00    +0.420 C 
ATOM     14  F   LIG    1       -6.205   4.787  -1.327  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -7.512   3.288  -0.438  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.222   2.763  -2.104  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.969   0.123  -0.889  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        2.583  -0.714   0.251  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.259  -1.423  -0.037  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.160  -0.401  -0.359  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.614   0.519  -1.502  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.970   1.153  -1.184  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.334   0.658  -0.776  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.604   1.600   0.407  0.00  0.00    +0.015 C 
BRANCH  24  26
ATOM     25  C   LIG    1        7.111   1.147   0.608  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        6.021   2.186   0.395  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  27
ATOM     27  C   LIG    1       -1.250  -2.162  -1.523  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.270  -3.464  -0.751  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -0.316  -4.461  -1.009  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.341  -5.668  -0.308  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.326  -5.899   0.650  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.290  -4.926   0.904  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.265  -3.718   0.204  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8