REMARK  Name = BDB015552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.890  -0.041   0.885  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.714   1.189   1.373  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.484   1.692   1.213  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.529   1.079   0.579  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.293  -0.154   0.089  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.942  -0.753   0.195  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.438  -0.792  -0.610  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.635  -2.121  -0.524  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.695  -2.755  -1.153  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.821  -4.197  -1.004  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.642  -2.066  -1.909  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.584  -2.599  -2.491  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.460  -0.581  -1.984  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.483   0.188  -2.756  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.415  -0.015  -1.360  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.232  -0.471   1.050  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.704   0.281   1.559  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.441  -1.912   1.908  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.511  -1.553   3.307  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.508  -2.911   1.432  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.082  -2.389   1.379  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.570  -3.085  -0.520  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.168  -2.659  -0.117  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.309   2.976   1.717  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.972   3.477   1.649  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -1.911   3.170   2.643  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1       -1.514   2.158   3.985  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -3.201   3.696   2.569  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -3.550   4.537   1.512  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.608   4.864   0.534  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -1.304   4.352   0.599  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1       -0.306   4.704  -0.467  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7