REMARK  Name = BDB055393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558   1.064  -0.721  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -1.726   0.619  -0.051  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.411  -0.103   1.064  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -2.314  -0.654   1.928  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -2.018  -1.147   2.758  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.665  -0.472   1.702  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1       -4.062   0.277   0.458  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -4.482  -0.890   2.517  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1        0.233  -0.272   1.341  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1       -3.109   0.797  -0.346  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.602   0.622  -0.095  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.561   1.818  -1.845  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -1.372   2.375  -2.098  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        0.310   2.285  -2.115  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1       -5.457   0.487   0.048  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1       -5.868   1.431  -0.608  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.273  -0.517   0.396  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.159  -0.249   0.078  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1        1.977   0.909  -0.480  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1        2.296   1.919  -1.112  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.078  -0.030  -0.139  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        2.950  -1.410  -0.351  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        4.014  -2.262  -0.041  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        5.202  -1.736   0.466  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.508  -2.788   0.846  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        5.343  -0.361   0.658  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        4.282   0.494   0.348  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5