REMARK  Name = BDB062283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.222   0.908  -1.550  0.00  0.00    -0.005 C 
ATOM      2  C   LIG    1        1.469   1.448  -2.259  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        2.701   1.323  -1.359  0.00  0.00    +0.107 C 
ATOM      4  N   LIG    1        2.725   0.053  -0.623  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        1.888  -1.021  -1.141  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1        0.421  -0.579  -1.210  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.846  -0.189   0.128  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        4.177  -1.689   0.928  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        5.644  -1.067   1.562  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        5.792   0.249   1.131  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        6.934   0.972   1.533  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        7.891   0.360   2.351  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        7.716  -0.956   2.765  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        8.906  -1.692   3.771  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        6.595  -1.696   2.383  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        4.774   0.725   0.330  0.00  0.00    -0.225 NA
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.045   1.175  -2.387  0.00  0.00    +0.044 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.354   0.891  -1.644  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.547  -0.517  -1.533  0.00  0.00    -0.490 OA
BRANCH  19  22
ATOM     20  C   LIG    1       -5.609  -0.650   0.584  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1       -4.617  -0.147  -0.279  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1       -3.547  -0.948  -0.699  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -3.496  -2.283  -0.273  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1       -2.224  -3.344  -0.770  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -4.477  -2.795   0.579  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -5.527  -1.982   1.008  0.00  0.00    +0.006 A 
BRANCH  20  27
ATOM     27  C   LIG    1       -6.769   0.220   1.015  0.00  0.00    +0.155 C 
BRANCH  27  29
ATOM     28  O   LIG    1       -5.255   1.865   2.005  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1       -6.388   1.464   1.796  0.00  0.00    +0.309 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -7.476   2.143   2.241  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -8.332   1.735   2.011  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8