REMARK  Name = BDB064000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.464  -2.613  -2.821  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.251  -1.721  -2.025  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.222  -0.920  -1.232  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.540  -1.147  -1.292  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.540   0.012  -0.478  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.717  -0.201  -0.745  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        0.938  -1.195  -1.640  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.824  -1.463  -2.030  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.587  -0.431  -0.545  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.706  -1.161  -0.111  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.733  -0.487   0.576  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.678   0.886   0.825  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.762   1.411   1.511  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.618   0.450   1.774  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.560   1.609   0.369  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.198  -1.117   1.230  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.532   0.946  -0.315  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.726   0.542  -0.215  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        1.395   1.310   0.360  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.040   0.147   0.096  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.010   1.147   0.268  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.352   0.833   0.545  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        5.726  -0.514   0.634  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.776  -1.518   0.466  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.445  -1.188   0.197  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.376   1.930   0.701  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        5.861   3.061   1.258  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.429   1.574   1.488  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.910   2.309  -0.492  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4