REMARK  Name = BDB064001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.515   1.661  -3.290  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.070   1.113  -2.302  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.779   0.694  -1.063  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.089   0.911  -0.891  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.891   0.062  -0.218  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.251   0.106  -0.843  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -0.201   0.711  -2.055  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.948   0.769  -2.724  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.896   0.524   0.277  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.226   0.129   0.061  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.023  -0.213   1.169  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.535  -0.158   2.475  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.436  -0.522   3.464  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.582  -0.847   2.911  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.206   0.256   2.681  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.665  -0.740   1.205  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.404   0.598   1.583  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.390  -0.451  -0.351  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.243  -0.981   0.502  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.725  -0.053  -0.539  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -3.742  -0.979  -0.262  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -5.094  -0.671  -0.460  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1       -5.440   0.579  -0.967  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.442   1.513  -1.251  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.097   1.198  -1.040  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  O   LIG    1       -5.960  -1.680  -0.144  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -7.333  -1.335  -0.052  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1       -7.988  -2.415   0.443  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -7.823  -1.121  -1.298  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5