REMARK  Name = BDB033476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.507   0.541   1.532  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        3.474  -0.375   0.929  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1        2.647  -0.001  -0.164  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        1.710  -0.922  -0.647  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        1.053  -0.330  -1.704  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.334  -0.787  -2.248  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1        1.517   0.940  -1.901  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        1.548  -2.197  -0.097  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        2.355  -2.554   0.981  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        2.502   1.176  -0.966  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1        3.302  -1.662   1.481  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.524  -3.070  -0.583  0.00  0.00    -0.211 N 
ATOM     13  H   LIG    1        0.842  -4.041  -0.628  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -0.918  -3.088   0.333  0.00  0.00    +0.108 S 
ATOM     15  O   LIG    1       -1.859  -3.889  -0.422  0.00  0.00    -0.147 OA
ATOM     16  O   LIG    1       -0.597  -3.411   1.705  0.00  0.00    -0.147 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.616  -1.459   0.347  0.00  0.00    +0.292 A 
ATOM     18  O   LIG    1       -1.050  -0.458   1.091  0.00  0.00    -0.334 OA
ATOM     19  N   LIG    1       -1.738   0.725   0.909  0.00  0.00    -0.081 NA
ATOM     20  C   LIG    1       -2.742   0.442   0.074  0.00  0.00    +0.088 A 
ATOM     21  C   LIG    1       -2.708  -0.916  -0.307  0.00  0.00    +0.097 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.718   1.497  -0.353  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -3.035   2.611  -1.150  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -4.487   2.078   0.835  0.00  0.00    +0.014 C 
ENDBRANCH  20  22
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1        3.229   2.403  -0.858  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        3.824   3.397  -0.779  0.00  0.00    -0.191 NA
ENDBRANCH  10  25
TORSDOF 5