REMARK  Name = BDB055530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.466   0.128  -0.030  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -0.104   1.176   0.927  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        0.522   0.481   2.146  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1       -0.158   0.614   3.680  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1        1.701  -0.201   2.030  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1        2.131  -0.444   2.918  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1        2.452  -0.408   0.861  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        1.919  -0.497  -0.436  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        2.785  -0.670  -1.530  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        4.154  -0.764  -1.328  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        4.688  -0.717  -0.049  0.00  0.00    +0.040 A 
ATOM     12  F   LIG    1        4.969  -0.928  -2.377  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.837  -0.553   1.044  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        0.470  -0.617  -0.733  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        0.145  -1.401  -1.624  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1        0.715   2.332   0.336  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        0.555   2.715  -1.009  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        1.276   3.784  -1.550  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.153   4.504  -0.747  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        3.041   5.819  -1.408  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        2.305   4.170   0.595  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.584   3.100   1.135  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.901  -0.215  -0.185  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.281  -1.464   0.614  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -2.920  -1.322   1.860  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -3.253  -2.441   2.629  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.953  -3.716   2.162  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -3.360  -5.093   3.108  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -2.324  -3.882   0.932  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.990  -2.762   0.164  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1       -2.400  -0.132  -1.648  0.00  0.00    +0.332 C 
ATOM     32  O   LIG    1       -2.004   0.706  -2.455  0.00  0.00    -0.248 OA
BRANCH  31  34
ATOM     33  C   LIG    1       -3.897  -0.970  -3.245  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1       -3.408  -1.013  -1.905  0.00  0.00    -0.466 OA
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 5