REMARK  Name = BDB063688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.988  -1.014  -1.889  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.246  -0.554  -1.362  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.841  -2.374  -2.057  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -1.720  -3.066  -2.563  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   8
ATOM      5  CA  LIG    1       -3.498   1.859   0.177  0.00  0.00    +0.137 C 
ATOM      6  N   LIG    1       -3.135   1.087  -0.885  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -3.348  -0.338  -1.012  0.00  0.00    +0.169 C 
ATOM      8  CA  LIG    1       -2.269  -0.317  -2.142  0.00  0.00    +0.191 C 
ATOM      9  S   LIG    1       -2.932  -1.145   0.561  0.00  0.00    -0.130 S 
ATOM     10  C   LIG    1       -4.133  -0.174   1.532  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1       -2.236   1.226  -1.882  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -1.604   2.172  -2.288  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1       -4.012   1.310   1.295  0.00  0.00    +0.057 C 
ATOM     14 CL   LIG    1       -4.586   2.265   2.630  0.00  0.00    -0.085 Cl
BRANCH   5  16
ATOM     15  O   LIG    1       -2.682   4.040   0.846  0.00  0.00    -0.244 OA
ATOM     16  C   LIG    1       -3.286   3.324   0.069  0.00  0.00    +0.353 C 
BRANCH  16  17
ATOM     17  OXT LIG    1       -3.879   3.811  -1.038  0.00  0.00    -0.476 OA
ATOM     18  HXT LIG    1       -3.610   4.753  -1.051  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   5  16
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        0.418  -2.879  -1.560  0.00  0.00    +0.190 A 
ATOM     20  O   LIG    1        1.321  -1.985  -1.053  0.00  0.00    -0.452 OA
ATOM     21  C   LIG    1        2.385  -2.692  -0.581  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        2.199  -4.036  -0.825  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        0.935  -4.156  -1.459  0.00  0.00    +0.055 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.455  -1.891   0.066  0.00  0.00    +0.303 C 
BRANCH  24  25
ATOM     25  O   LIG    1        2.870  -1.300   1.233  0.00  0.00    -0.483 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.247   0.008   1.390  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1        2.295   1.031   1.282  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1        0.647   0.694   0.889  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        2.672   2.360   1.476  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        3.996   2.658   1.794  0.00  0.00    +0.019 A 
ATOM     31 BR   LIG    1        4.514   4.456   2.061  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        4.944   1.642   1.925  0.00  0.00    +0.019 A 
ATOM     33  C   LIG    1        4.568   0.312   1.729  0.00  0.00    +0.048 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   3  19
TORSDOF 7