REMARK  Name = BDB049412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.180  -1.127  -0.058  0.00  0.00    +0.016 A 
ATOM      2  C   LIG    1       -2.295  -1.689  -0.751  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -2.073  -2.369  -1.979  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.152  -2.936  -2.679  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -4.453  -2.845  -2.190  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.692  -2.183  -0.995  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.775  -2.482  -2.494  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        0.308  -1.932  -1.819  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.630  -1.616  -0.287  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.103  -1.244  -0.625  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.345  -0.412   1.272  0.00  0.00    +0.120 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -2.040   0.868   1.119  0.00  0.00    -0.310 NA
ATOM     13  H   LIG    1       -1.615   1.389   0.345  0.00  0.00    +0.122 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.918   1.718   2.312  0.00  0.00    +0.109 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.586   2.481   2.350  0.00  0.00    +0.171 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.409   3.187   1.123  0.00  0.00    -0.394 OA
ATOM     17  H   LIG    1        0.519   3.486   1.096  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH  10  18
ATOM     18  O   LIG    1        1.203  -0.768   0.044  0.00  0.00    -0.487 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.670   0.460  -0.535  0.00  0.00    +0.267 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.964   0.842   0.137  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.180   2.145   0.591  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1        2.219   3.071   0.464  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.383   2.518   1.186  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        5.402   1.579   1.332  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.212   0.274   0.879  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.003  -0.091   0.281  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  10  18
TORSDOF 8