REMARK  Name = BDB058463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.408  -0.409   0.609  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.009  -0.361   0.757  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.750  -1.348   0.158  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.139  -1.531   0.128  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.435  -2.671  -0.655  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.191  -3.200  -1.059  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.005  -4.356  -1.887  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.544  -3.100  -0.931  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.166  -2.384  -0.568  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.198  -2.482  -0.712  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.981  -1.489  -0.104  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.182   0.577   1.262  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.618   1.343   1.617  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        5.479   0.937  -0.190  0.00  0.00    +0.190 A 
ATOM     15  N   LIG    1        4.215   0.518  -0.017  0.00  0.00    -0.205 NA
ATOM     16  C   LIG    1        3.510   1.015   1.020  0.00  0.00    +0.146 A 
ATOM     17  C   LIG    1        4.085   1.930   1.897  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        3.243   2.610   3.235  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        5.386   2.297   1.638  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1        6.105   1.819   0.604  0.00  0.00    -0.229 NA
BRANCH  14  22
ATOM     21  C   LIG    1        7.944   1.081  -1.415  0.00  0.00    +0.093 C 
ATOM     22  S   LIG    1        6.349   0.242  -1.574  0.00  0.00    -0.089 S 
ENDBRANCH  14  22
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1       -3.121  -0.636   0.691  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.485   0.487  -0.284  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.448   1.534   0.302  0.00  0.00    +0.062 C 
ATOM     26  C   LIG    1       -4.687   2.645  -0.725  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.784   0.926   0.736  0.00  0.00    +0.041 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -3.824   2.120   1.448  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -4.428   2.798   1.802  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7