REMARK  Name = BDB033791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.847   0.033  -1.935  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -2.386   1.242  -1.418  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.026   1.397  -1.125  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.108   0.365  -1.357  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.601  -0.843  -1.885  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.957  -1.012  -2.180  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -5.226   1.107  -2.238  0.00  0.00    -0.153 OA
ATOM      8  S   LIG    1       -4.565  -0.176  -2.317  0.00  0.00    +0.059 S 
ATOM      9  O   LIG    1       -4.656  -1.012  -3.494  0.00  0.00    -0.153 OA
BRANCH   8  10
ATOM     10  N   LIG    1       -5.090  -1.117  -1.035  0.00  0.00    -0.187 NA
ATOM     11  H   LIG    1       -5.550  -1.984  -1.310  0.00  0.00    +0.148 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -5.378  -0.506   0.270  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -6.861  -0.141   0.372  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -7.631  -1.207   1.136  0.00  0.00    +0.161 C 
ATOM     15  O   LIG    1       -7.143  -1.397   2.463  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -5.738  -1.212   2.635  0.00  0.00    +0.161 C 
ATOM     17  C   LIG    1       -4.949  -1.484   1.366  0.00  0.00    +0.048 C 
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  N   LIG    1        1.257   0.453  -1.063  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        1.838  -0.311  -1.376  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.067   1.444  -0.518  0.00  0.00    +0.223 A 
ATOM     21  N   LIG    1        3.377   1.147  -0.485  0.00  0.00    -0.178 NA
ATOM     22  C   LIG    1        4.211   2.074   0.040  0.00  0.00    +0.238 A 
ATOM     23  C   LIG    1        3.790   3.293   0.525  0.00  0.00    +0.120 A 
ATOM     24 CL   LIG    1        4.832   4.487   1.177  0.00  0.00    -0.076 Cl
ATOM     25  C   LIG    1        2.436   3.498   0.454  0.00  0.00    +0.139 A 
ATOM     26  N   LIG    1        1.566   2.598  -0.054  0.00  0.00    -0.221 NA
BRANCH  22  27
ATOM     27  O   LIG    1        5.566   1.808   0.068  0.00  0.00    -0.469 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.924   0.462  -0.228  0.00  0.00    +0.204 C 
ATOM     29  C   LIG    1        5.597  -0.547   0.885  0.00  0.00    +0.155 C 
ATOM     30  C   LIG    1        6.479  -1.735   0.517  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1        7.762  -1.116  -0.049  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1        7.447   0.354  -0.325  0.00  0.00    +0.047 C 
BRANCH  29  33
ATOM     33  O   LIG    1        5.984  -0.052   2.168  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1        5.766  -0.737   2.823  0.00  0.00    +0.210 HD
ENDBRANCH  29  33
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 8