REMARK  Name = BDB033690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.196   0.258  -2.289  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.247  -0.321  -1.043  0.00  0.00    +0.237 A 
ATOM      3  N   LIG    1       -1.168  -0.468  -0.244  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        0.012  -0.027  -0.707  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.153   0.551  -1.909  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.951   0.681  -2.675  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -4.233   0.572  -3.844  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -3.331   0.420  -3.130  0.00  0.00    +0.106 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        1.085  -0.200   0.162  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.759  -0.658   1.000  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.461   0.035   0.067  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.092   0.530  -1.082  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.471   0.765  -1.110  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.236   0.519   0.029  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        4.639   0.023   1.186  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.260  -0.209   1.199  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        6.982   0.821  -0.014  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        7.581   0.222   1.156  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        7.457   0.561  -1.352  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        7.043   2.483   0.250  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        6.128   2.932   0.210  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        7.517   2.658   1.137  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -3.477  -0.759  -0.594  0.00  0.00    -0.472 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.479  -1.381   0.695  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1       -4.796  -2.144   0.842  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.831  -1.072   1.178  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.051   0.095   1.782  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -3.590  -0.345   1.812  0.00  0.00    +0.044 C 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 7