REMARK  Name = BDB055795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.987   0.802  -0.332  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -2.021   1.279   0.488  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -1.808   2.378   1.331  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.550   2.976   1.395  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.487   2.495   0.598  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.274   1.416  -0.258  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.385  -0.681  -1.695  0.00  0.00    -0.312 N 
ATOM      8  H   LIG    1       -3.168  -0.104  -1.414  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.119  -0.357  -1.262  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -0.115  -0.963  -1.622  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -2.447  -1.275  -4.075  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -2.624  -1.748  -2.643  0.00  0.00    +0.101 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  N   LIG    1        1.785   3.061   0.724  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        1.854   4.073   0.837  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        2.885   2.287   1.756  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        3.894   3.277   2.068  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        2.158   1.605   2.805  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.631   1.082   0.690  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        3.231  -0.255   0.761  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        3.813  -1.198  -0.091  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        4.804  -0.811  -0.997  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        5.217   0.525  -1.036  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.636   1.476  -0.196  0.00  0.00    +0.032 A 
BRANCH  21  24
ATOM     24  O   LIG    1        5.448  -1.632  -1.881  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1        4.982  -2.973  -1.966  0.00  0.00    +0.277 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   2  26
ATOM     26  O   LIG    1       -3.276   0.716   0.443  0.00  0.00    -0.454 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.719   0.065   1.570  0.00  0.00    +0.148 A 
ATOM     28  C   LIG    1       -5.098   0.041   1.773  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1       -5.610  -0.627   2.880  0.00  0.00    +0.063 A 
ATOM     30 CL   LIG    1       -7.302  -0.667   3.167  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -4.726  -1.258   3.742  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1       -3.383  -1.267   3.566  0.00  0.00    -0.258 NA
ATOM     33  C   LIG    1       -2.908  -0.611   2.478  0.00  0.00    +0.157 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 8