REMARK  Name = BDB062628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.721  -2.316  -0.340  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.638  -3.321  -0.202  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.438  -1.497  -0.222  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.571  -2.092   0.337  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.713  -1.322   0.536  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1        4.002  -1.788   1.133  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        4.881  -0.547   0.981  0.00  0.00    +0.118 C 
ATOM      8  N   LIG    1        4.026   0.554   0.516  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1        4.569   1.816   0.406  0.00  0.00    +0.217 C 
ATOM     10  O   LIG    1        5.755   2.028   0.680  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1        3.711   2.961  -0.047  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        2.753   0.036   0.213  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        1.631   0.638  -0.325  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.472  -0.131  -0.532  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -2.126  -1.895  -1.160  0.00  0.00    +0.076 S 
ATOM     16  O   LIG    1       -1.733  -1.222  -2.378  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -2.927  -3.102  -1.174  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.872   0.170  -0.585  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -2.952  -0.757  -0.070  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1       -2.665  -0.798   1.303  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1       -3.278   0.107   2.160  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1       -2.921   0.070   3.841  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.179   1.044   1.664  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -4.479   1.072   0.298  0.00  0.00    +0.049 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.008   1.094  -2.479  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.144   0.112  -1.921  0.00  0.00    -0.493 OA
ENDBRANCH  18  26
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 4