REMARK  Name = BDB034881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.445  -1.004  -2.065  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.138  -0.440  -1.022  0.00  0.00    +0.273 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.191   0.089  -0.118  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -3.547   0.100  -0.518  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -4.473   0.616   0.387  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1       -5.717   0.543  -0.178  0.00  0.00    -0.346 N 
ATOM      7  H   LIG    1       -6.560   0.856   0.282  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1       -5.627  -0.005  -1.429  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -4.237   1.111   1.614  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.928   1.072   1.950  0.00  0.00    +0.152 A 
ATOM     11  C   LIG    1       -4.299  -0.289  -1.668  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.900   0.590   1.154  0.00  0.00    +0.154 A 
ATOM     13  F   LIG    1       -0.656   0.605   1.652  0.00  0.00    -0.203 F 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  N   LIG    1        0.163  -0.210  -0.673  0.00  0.00    -0.152 NA
ATOM     15  C   LIG    1        0.865  -1.198  -0.216  0.00  0.00    +0.170 A 
ATOM     16  N   LIG    1        2.211  -1.188   0.169  0.00  0.00    -0.296 N 
ATOM     17  C   LIG    1        2.676  -2.415   0.625  0.00  0.00    +0.101 A 
ATOM     18  C   LIG    1        1.776  -3.404   0.660  0.00  0.00    +0.066 A 
ATOM     19  S   LIG    1        0.221  -2.859   0.093  0.00  0.00    -0.060 S 
BRANCH  16  20
ATOM     20  C   LIG    1        3.050  -0.050   0.004  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        3.866   0.466   1.032  0.00  0.00    +0.065 A 
ATOM     22 CL   LIG    1        3.845  -0.169   2.645  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        4.695   1.574   0.806  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.720   2.192  -0.443  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.912   1.710  -1.466  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.086   0.605  -1.244  0.00  0.00    +0.028 A 
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 3