REMARK  Name = BDB004658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.506  -0.104  -0.128  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.173  -0.080  -0.590  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.150  -0.255   0.362  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.175  -0.239  -0.127  0.00  0.00    +0.134 A 
ATOM      5  N   LIG    1       -0.457  -0.042  -1.424  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.576   0.121  -2.244  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.473  -0.421   1.734  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.791  -0.438   2.168  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.867   0.103  -1.894  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.805  -0.284   1.237  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.477   0.247  -2.361  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.271   0.365  -2.974  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.535   0.286  -2.738  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.691   0.058  -1.028  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.838   0.022  -0.592  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -1.248  -0.462   0.781  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1       -1.085  -1.341   1.263  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.627  -0.229   0.574  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -3.103   0.796  -0.257  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.474   1.035  -0.384  0.00  0.00    +0.078 A 
ATOM     21 CL   LIG    1       -5.022   2.291  -1.428  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1       -5.382   0.269   0.339  0.00  0.00    +0.142 A 
ATOM     23  F   LIG    1       -6.701   0.483   0.235  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1       -4.933  -0.727   1.198  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -3.562  -0.965   1.323  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3