REMARK  Name = BDB019193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724   0.837  -2.423  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1       -0.513  -0.598  -2.899  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        0.993  -0.659  -3.104  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        1.509   0.241  -1.972  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.484   1.232  -1.740  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  15
ATOM      6  C   LIG    1       -2.434  -3.005   1.421  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.064  -1.557   1.266  0.00  0.00    -0.032 A 
ATOM      8  C   LIG    1       -1.494  -0.821   2.316  0.00  0.00    +0.044 A 
ATOM      9 CL   LIG    1       -1.155  -1.547   3.848  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.177   0.528   2.150  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.403   1.151   0.921  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1       -1.144   2.616   0.716  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -2.224   3.133  -0.229  0.00  0.00    +0.165 C 
ATOM     14  O   LIG    1       -2.176   2.517  -1.515  0.00  0.00    -0.369 OA
ATOM     15  C   LIG    1       -1.982   1.082  -1.539  0.00  0.00    +0.180 C 
ATOM     16  C   LIG    1       -1.898   0.418  -0.168  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -2.264  -0.922   0.027  0.00  0.00    +0.011 A 
ENDBRANCH   1  15
BRANCH   4  18
ATOM     18  N   LIG    1        1.784  -0.411  -0.695  0.00  0.00    -0.303 N 
ATOM     19  C   LIG    1        2.431   0.218   0.349  0.00  0.00    +0.148 A 
ATOM     20  C   LIG    1        2.426  -0.638   1.441  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1        2.988  -0.152   2.629  0.00  0.00    +0.129 A 
ATOM     22  N   LIG    1        3.510   1.089   2.645  0.00  0.00    -0.220 NA
ATOM     23  C   LIG    1        3.474   1.806   1.505  0.00  0.00    +0.225 A 
ATOM     24  C   LIG    1        1.812  -1.845   1.016  0.00  0.00    +0.033 A 
ATOM     25  N   LIG    1        2.956   1.455   0.317  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        1.439  -1.684  -0.302  0.00  0.00    +0.091 A 
BRANCH  21  27
ATOM     27  N   LIG    1        3.015  -0.873   3.816  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        3.197  -0.251   4.596  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        2.232  -1.504   3.931  0.00  0.00    +0.144 HD
ENDBRANCH  21  27
ENDBRANCH   4  18
BRANCH   2  30
ATOM     30  O   LIG    1       -1.226  -0.904  -4.094  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -0.979  -0.225  -4.751  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1        1.312  -0.109  -4.397  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        1.143  -0.818  -5.047  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5