REMARK  Name = BDB055523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.623   0.008   0.029  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -0.193   1.123   0.881  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        0.537   0.528   2.096  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1       -0.001   0.802   3.667  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1        1.704  -0.166   1.937  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1        2.207  -0.337   2.804  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1        2.362  -0.455   0.730  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        1.731  -0.639  -0.509  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        2.509  -0.885  -1.656  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.895  -0.954  -1.565  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.523  -0.812  -0.334  0.00  0.00    +0.022 A 
ATOM     12 CL   LIG    1        4.834  -1.247  -2.975  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.758  -0.577   0.811  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.265  -0.792  -0.677  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -0.119  -1.651  -1.471  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  16
ATOM     16  C   LIG    1        0.571   2.236   0.145  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        0.318   2.512  -1.212  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        0.991   3.538  -1.882  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        1.911   4.324  -1.198  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        2.739   5.588  -2.019  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        2.155   4.098   0.152  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.482   3.069   0.820  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.051  -0.400   0.068  0.00  0.00    +0.216 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.297  -1.567   1.024  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -2.796  -1.321   2.317  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -3.006  -2.369   3.215  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -2.725  -3.672   2.825  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1       -2.925  -4.677   3.688  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -2.242  -3.945   1.554  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -2.030  -2.897   0.655  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  C   LIG    1       -2.782  -0.538  -1.295  0.00  0.00    +0.332 C 
ATOM     32  O   LIG    1       -3.832  -1.150  -1.466  0.00  0.00    -0.248 OA
BRANCH  31  34
ATOM     33  C   LIG    1       -2.817   0.150  -3.536  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1       -2.196   0.240  -2.255  0.00  0.00    -0.466 OA
ENDBRANCH  31  34
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 5