REMARK  Name = BDB001034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        7.688   1.497   1.454  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        6.718   1.009   0.884  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        6.851  -0.157  -0.044  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        5.703  -0.682  -0.674  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1        5.842  -1.771  -1.540  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        7.104  -2.326  -1.773  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        8.235  -1.800  -1.146  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.415  -0.059  -0.390  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        3.066  -0.439  -0.934  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        2.192   0.582  -0.250  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        2.977   1.419   0.566  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.402   2.446   1.293  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        1.020   2.623   1.198  0.00  0.00    +0.150 A 
ATOM     14  F   LIG    1        0.472   3.634   1.886  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1        0.238   1.787   0.395  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1        0.821   0.751  -0.349  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        4.356   0.983   0.450  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        8.111  -0.714  -0.280  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1        5.443   1.509   1.069  0.00  0.00    -0.321 N 
ATOM     20  H   LIG    1        5.358   2.297   1.696  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  15  21
ATOM     21  S   LIG    1       -1.503   2.045   0.334  0.00  0.00    +0.061 S 
ATOM     22  O   LIG    1       -1.979   2.512   1.616  0.00  0.00    -0.153 OA
ATOM     23  O   LIG    1       -1.781   2.752  -0.897  0.00  0.00    -0.153 OA
BRANCH  21  24
ATOM     24  N   LIG    1       -2.112   0.490   0.123  0.00  0.00    -0.190 NA
ATOM     25  H   LIG    1       -2.857   0.461  -0.585  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.371  -0.330   1.314  0.00  0.00    +0.107 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.045  -1.631   0.884  0.00  0.00    +0.032 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.538  -1.503   0.531  0.00  0.00    +0.086 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.791  -0.507  -0.535  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1       -5.396   0.737   0.028  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -6.928   0.855  -0.103  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -7.557  -0.418   0.041  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -7.150  -1.325  -0.994  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -5.731  -1.052  -1.538  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  15  21
TORSDOF 6