REMARK  Name = BDB003628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.640  -0.091  -0.523  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        4.045  -0.090   0.744  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        2.660  -0.087   0.809  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        1.761  -0.084   2.043  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.435  -0.081   1.371  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.494  -0.082   0.002  0.00  0.00    +0.084 A 
ATOM      7  N   LIG    1       -0.685  -0.079  -0.671  0.00  0.00    -0.224 NA
ATOM      8  C   LIG    1       -1.648  -0.077   0.236  0.00  0.00    +0.166 A 
ATOM      9  S   LIG    1       -1.151  -0.078   1.893  0.00  0.00    -0.056 S 
ATOM     10  C   LIG    1        1.875  -0.085  -0.377  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.446  -0.087  -1.629  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        3.844  -0.090  -1.691  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1       -2.964  -0.074  -0.140  0.00  0.00    -0.258 N 
ATOM     14  H   LIG    1       -3.109  -0.074  -1.141  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -4.077  -0.071   0.666  0.00  0.00    +0.285 C 
ATOM     16  O   LIG    1       -4.087  -0.071   1.891  0.00  0.00    -0.266 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.310  -0.069  -0.104  0.00  0.00    +0.189 A 
ATOM     18  O   LIG    1       -5.250  -0.069  -1.476  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1       -6.529  -0.066  -1.932  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1       -7.417  -0.064  -0.883  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -6.633  -0.065   0.296  0.00  0.00    +0.054 A 
ENDBRANCH  15  17
ENDBRANCH   8  13
BRANCH   1  23
ATOM     22  C   LIG    1        6.850  -0.096   0.362  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.989  -0.095  -0.769  0.00  0.00    -0.495 OA
ENDBRANCH   1  23
TORSDOF 3