REMARK  Name = BDB062282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.294  -0.293  -0.197  0.00  0.00    -0.005 C 
ATOM      2  C   LIG    1        1.185  -0.352  -1.452  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        2.607  -0.825  -1.149  0.00  0.00    +0.107 C 
ATOM      4  N   LIG    1        3.240   0.039  -0.157  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        2.385   0.804   0.750  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1        1.122   0.005   1.065  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.595   0.172  -0.048  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        5.729  -0.810  -0.918  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        7.046   0.012  -0.190  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        6.545   0.981   0.676  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        7.452   1.787   1.394  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        8.829   1.603   1.226  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        9.301   0.628   0.354  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       10.999   0.416   0.161  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        8.426  -0.186  -0.370  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        5.168   1.053   0.745  0.00  0.00    -0.225 NA
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.537  -1.585  -0.046  0.00  0.00    +0.044 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.514  -1.573   1.134  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.350  -0.418   1.122  0.00  0.00    -0.492 OA
BRANCH  19  23
ATOM     20  C   LIG    1       -5.671  -2.509  -1.952  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.166  -1.365  -1.122  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -3.959  -1.482  -0.415  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -3.504  -0.439   0.391  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -4.268   0.728   0.492  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -5.480   0.865  -0.199  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -5.926  -0.195  -0.997  0.00  0.00    +0.007 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -6.301   2.124  -0.063  0.00  0.00    +0.155 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -7.408   2.028   0.959  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -7.805   1.045   1.560  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.006   3.224   1.161  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -8.695   3.026   1.829  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8