REMARK  Name = BDB056451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.568  -2.093   0.536  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1       -0.087  -1.437   1.507  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -1.338  -1.009   1.257  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.932  -1.234   0.040  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -1.174  -1.915  -0.876  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1       -1.790  -2.261  -2.441  0.00  0.00    -0.062 Cl
ATOM      7  N   LIG    1        0.071  -2.360  -0.670  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -1.940  -0.339   2.317  0.00  0.00    -0.279 N 
ATOM      9  H   LIG    1       -1.315  -0.289   3.112  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -3.170   0.203   2.417  0.00  0.00    +0.164 A 
ATOM     11  S   LIG    1       -3.619   0.985   3.892  0.00  0.00    -0.060 S 
ATOM     12  C   LIG    1       -5.158   1.347   3.235  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1       -5.247   0.867   1.945  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -4.109   0.209   1.499  0.00  0.00    -0.225 NA
BRANCH  13  15
ATOM     15  C   LIG    1       -6.424   0.995   1.089  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -7.393   1.989   1.295  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -8.507   2.083   0.454  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -8.665   1.188  -0.602  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -7.708   0.201  -0.823  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.595   0.107   0.016  0.00  0.00    +0.010 A 
ENDBRANCH  13  15
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  S   LIG    1        2.203  -2.649   0.928  0.00  0.00    -0.071 S 
BRANCH  21  22
ATOM     22  C   LIG    1        2.996  -2.535  -0.725  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.348  -3.235  -0.692  0.00  0.00    +0.318 C 
ATOM     24  O   LIG    1        5.056  -3.480   0.270  0.00  0.00    -0.250 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.772  -3.582  -1.929  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        5.637  -4.014  -1.764  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  27
ATOM     27  C   LIG    1        3.160  -1.095  -1.246  0.00  0.00    +0.026 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.965  -0.155  -0.336  0.00  0.00    +0.002 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.132   1.224  -0.984  0.00  0.00    +0.000 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.935   2.200  -0.116  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1        7.202   1.006  -0.245  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        6.423   2.291  -0.466  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 12