REMARK  Name = BDB039705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.801  -0.404   1.867  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.999  -0.400   0.712  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.700  -0.888   0.833  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -0.152  -1.367   2.013  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.176  -1.756   1.693  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1        1.365  -1.494   0.344  0.00  0.00    +0.192 A 
ATOM      7  C   LIG    1       -0.948  -1.368   3.169  0.00  0.00    +0.013 A 
ATOM      8  O   LIG    1        0.210  -0.968  -0.174  0.00  0.00    -0.450 OA
ATOM      9  C   LIG    1       -2.263  -0.884   3.076  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.486  -1.667  -0.556  0.00  0.00    +0.298 C 
ATOM     11  N   LIG    1        3.678  -1.998   0.100  0.00  0.00    -0.179 N 
ATOM     12  H   LIG    1        3.777  -1.903   1.104  0.00  0.00    +0.177 HD
ATOM     13  O   LIG    1        2.438  -1.510  -1.767  0.00  0.00    -0.265 OA
BRANCH  11  14
ATOM     14  S   LIG    1        5.123  -2.243  -0.672  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1        6.137  -2.261   0.360  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        4.964  -3.379  -1.554  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        5.389  -0.790  -1.648  0.00  0.00    +0.127 A 
ATOM     18  C   LIG    1        5.434   0.484  -1.075  0.00  0.00    +0.069 A 
ATOM     19 CL   LIG    1        5.196   0.789   0.609  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        5.662   1.599  -1.889  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        5.843   1.439  -3.262  0.00  0.00    +0.042 A 
ATOM     22 CL   LIG    1        6.123   2.817  -4.252  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        5.798   0.172  -3.837  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        5.572  -0.945  -3.031  0.00  0.00    +0.032 A 
ENDBRANCH  14  17
ENDBRANCH  11  14
ENDBRANCH   6  10
BRANCH   1  26
ATOM     25  C   LIG    1       -5.116  -0.994   2.072  0.00  0.00    +0.135 C 
ATOM     26  N   LIG    1       -4.142   0.078   1.829  0.00  0.00    -0.303 N 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.573   1.187   1.056  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1       -3.761   2.336   0.985  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.140   3.462   0.248  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.350   3.469  -0.436  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.178   2.353  -0.376  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -5.794   1.228   0.365  0.00  0.00    +0.023 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5