REMARK  Name = BDB015442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529   0.120  -1.485  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        1.149  -1.112  -1.782  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        2.049  -0.901  -2.930  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        2.071   0.620  -3.022  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.986   1.130  -2.154  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.270   0.791   0.381  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.942  -0.169  -0.699  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.556  -0.836  -0.569  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.466   0.165  -0.548  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -0.890   1.501  -0.078  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.039   1.393   0.944  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.614   1.177   2.448  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.108   0.173   1.417  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        1.686  -2.198  -0.601  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1        2.677  -3.085  -1.175  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.535  -2.773   0.069  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.509  -1.164   0.577  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1        3.759  -0.631   0.281  0.00  0.00    +0.153 A 
ATOM     19  F   LIG    1        4.350  -0.849  -0.900  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        4.421   0.169   1.207  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        3.822   0.423   2.434  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1        4.454   1.194   3.329  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        2.575  -0.108   2.751  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        1.913  -0.910   1.821  0.00  0.00    +0.034 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4