REMARK  Name = BDB028306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.912  -1.137  -0.567  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.236   0.186  -0.595  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -4.032   1.301  -0.826  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.466   2.579  -0.870  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.092   2.737  -0.674  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.264   1.629  -0.430  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.481   1.124  -1.013  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -6.219   2.080  -1.226  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.949  -0.165  -0.933  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.946  -0.306  -1.056  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.859   0.352  -0.393  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.197  -1.279  -0.720  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.182   1.792  -0.213  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.841   1.172   0.861  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.221   1.312   1.031  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        2.901   2.108   0.117  0.00  0.00    +0.125 A 
ATOM     17  N   LIG    1        2.315   2.735  -0.929  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        0.979   2.556  -1.068  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  S   LIG    1        3.040   0.505   2.388  0.00  0.00    -0.086 S 
BRANCH  19  20
ATOM     20  C   LIG    1        4.143  -0.599   1.508  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        3.725  -1.758   0.831  0.00  0.00    +0.055 A 
ATOM     22 CL   LIG    1        2.071  -2.268   0.781  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        4.659  -2.563   0.168  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        6.013  -2.227   0.180  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.439  -1.089   0.859  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.511  -0.282   1.522  0.00  0.00    +0.016 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -3.093  -2.405  -0.340  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.753  -2.509   1.081  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -3.624  -2.566   1.614  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -2.277  -3.397   1.241  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5