REMARK  Name = BDB034891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.442   0.649   0.527  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1       -0.327  -0.294   0.973  0.00  0.00    +0.171 A 
ATOM      3  N   LIG    1       -1.718  -0.369   0.873  0.00  0.00    -0.290 N 
ATOM      4  C   LIG    1       -2.299  -1.503   1.466  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -1.402  -2.337   2.024  0.00  0.00    +0.072 A 
ATOM      6  S   LIG    1        0.233  -1.765   1.842  0.00  0.00    -0.060 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.459   0.650   0.222  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -2.530   0.748  -1.179  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -1.748  -0.401  -2.211  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -3.262   1.774  -1.785  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -3.927   2.717  -1.001  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.861   2.637   0.389  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.133   1.612   0.996  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        2.259   0.778   1.902  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.784   0.567   0.793  0.00  0.00    +0.270 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.663   0.256  -0.366  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        4.017  -0.090  -0.181  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.752  -0.372  -1.328  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        6.029  -0.689  -0.953  0.00  0.00    -0.346 N 
ATOM     20  H   LIG    1        6.759  -0.932  -1.606  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        6.143  -0.624   0.411  0.00  0.00    +0.085 A 
ATOM     22  N   LIG    1        4.327  -0.352  -2.604  0.00  0.00    -0.237 NA
ATOM     23  C   LIG    1        3.027  -0.010  -2.725  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1        4.913  -0.257   0.916  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.172   0.296  -1.679  0.00  0.00    +0.033 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   4  26
ATOM     26  C   LIG    1       -3.776  -1.759   1.477  0.00  0.00    +0.210 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.228  -1.987   0.150  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -5.196  -2.055   0.186  0.00  0.00    +0.210 HD
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 5