REMARK  Name = BDB060112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.254  -1.519   0.003  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.373  -2.015  -0.969  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        0.933  -2.369  -0.622  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        1.389  -2.212   0.691  0.00  0.00    +0.086 A 
ATOM      5  C   LIG    1        0.497  -1.757   1.666  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -0.811  -1.403   1.325  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.708  -2.563   1.039  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1        3.633  -1.711   0.973  0.00  0.00    -0.149 NA
BRANCH   8   9
ATOM      9  C   LIG    1        3.367  -0.401   0.527  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        3.001   0.601   1.434  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        2.747   1.902   0.992  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        2.884   2.210  -0.361  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        2.562   3.807  -0.911  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        3.284   1.232  -1.270  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.533  -0.068  -0.823  0.00  0.00    +0.031 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  C   LIG    1       -2.653  -1.093  -0.385  0.00  0.00    +0.059 C 
BRANCH  16  20
ATOM     17  O   LIG    1       -5.654   2.628  -1.540  0.00  0.00    -0.263 OA
ATOM     18  C   LIG    1       -4.643   2.016  -1.247  0.00  0.00    +0.279 C 
ATOM     19  S   LIG    1       -4.110   0.571  -2.063  0.00  0.00    -0.054 S 
ATOM     20  C   LIG    1       -2.687   0.333  -0.937  0.00  0.00    +0.146 C 
ATOM     21  C   LIG    1       -2.894   1.377   0.147  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1       -2.329   1.408   1.232  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1       -3.811   2.315  -0.224  0.00  0.00    -0.246 N 
ATOM     24  H   LIG    1       -4.077   3.041   0.423  0.00  0.00    +0.158 HD
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4