REMARK  Name = BDB003147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.877  -1.586  -1.086  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.132  -0.711  -0.295  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -1.415   0.343  -0.846  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.433   0.541  -2.244  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.683   1.623  -2.762  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        0.036   2.432  -1.875  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -0.015   2.155  -0.519  0.00  0.00    +0.098 A 
ATOM      8  C   LIG    1       -0.627   1.926  -4.234  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -2.189  -0.345  -3.042  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1       -0.728   1.135  -0.010  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -2.902  -1.395  -2.464  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -3.605  -2.890   0.762  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.611  -2.649  -0.640  0.00  0.00    -0.495 OA
ENDBRANCH   1  13
BRANCH   7  14
ATOM     14  S   LIG    1        0.923   3.163   0.616  0.00  0.00    -0.097 S 
BRANCH  14  15
ATOM     15  C   LIG    1        0.352   2.491   2.216  0.00  0.00    +0.172 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.806   1.063   2.505  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        2.008   0.715   1.935  0.00  0.00    -0.270 N 
ATOM     18  H   LIG    1        2.444   1.378   1.306  0.00  0.00    +0.156 HD
ATOM     19  O   LIG    1        0.154   0.353   3.270  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.693  -0.495   2.004  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1        3.830  -0.508   1.273  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1        4.562  -1.651   1.279  0.00  0.00    +0.132 A 
ATOM     23  C   LIG    1        4.211  -2.788   1.985  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        5.190  -4.196   1.942  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        3.043  -2.757   2.731  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        2.270  -1.593   2.743  0.00  0.00    +0.045 A 
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   7  14
TORSDOF 5