REMARK  Name = BDB015583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.946   0.206   0.156  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.143  -0.882   0.165  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.163  -0.690   0.400  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.737   0.492   0.655  0.00  0.00    -0.176 NA
ATOM      5  C   LIG    1       -0.891   1.539   0.628  0.00  0.00    +0.183 A 
ATOM      6  C   LIG    1        0.458   1.474   0.376  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        5.890   1.272   0.818  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        4.757   0.509   0.209  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        5.119  -0.582  -0.752  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1        6.298  -0.792  -1.026  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        4.050  -1.304  -1.277  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1        4.316  -2.392  -2.206  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1        2.731  -1.022  -0.959  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1        2.387  -0.028  -0.118  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.464   0.742   0.488  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  S   LIG    1       -1.658   3.115   0.900  0.00  0.00    +0.011 S 
ATOM     17  O   LIG    1       -1.529   3.407   2.315  0.00  0.00    -0.168 OA
ATOM     18  O   LIG    1       -1.115   4.019  -0.099  0.00  0.00    -0.168 OA
ATOM     19  C   LIG    1       -3.375   2.873   0.527  0.00  0.00    +0.202 C 
ENDBRANCH   5  16
BRANCH   3  20
ATOM     20  O   LIG    1       -1.930  -1.847   0.430  0.00  0.00    -0.421 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.286  -1.687   0.288  0.00  0.00    +0.167 A 
ATOM     22  C   LIG    1       -3.853  -1.132  -0.863  0.00  0.00    +0.168 A 
ATOM     23  F   LIG    1       -3.071  -0.702  -1.864  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1       -5.231  -1.017  -0.992  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1       -6.041  -1.479   0.038  0.00  0.00    +0.126 A 
ATOM     26  F   LIG    1       -7.371  -1.373  -0.073  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -5.495  -2.057   1.183  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.110  -2.170   1.307  0.00  0.00    +0.052 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4