REMARK  Name = BDB062202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.050  -3.011  -2.168  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.983  -1.972  -1.544  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.221  -1.187  -1.156  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.458  -1.591  -1.467  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.173  -0.042  -0.495  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.472  -0.117  -0.446  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -1.991  -1.221  -1.036  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.965  -1.421  -1.178  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.715  -0.893  -1.154  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.908  -0.189   0.044  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.135   0.403   0.266  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        4.483   1.121   1.368  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.843   1.473   1.042  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.282   0.957  -0.231  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.161   0.308  -0.643  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.019  -0.385  -1.824  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.784  -0.994  -2.075  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.251   0.853   0.104  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.723   1.668   0.402  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.493   0.730   0.751  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.281   1.885   0.899  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -5.543   1.825   1.495  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -6.028   0.606   1.946  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -7.236   0.544   2.518  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.273  -0.551   1.811  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -4.011  -0.489   1.212  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3