REMARK  Name = BDB026613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.847   1.999   0.381  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1        0.659   2.339   1.058  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.577   1.895   0.521  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.763   2.245   1.218  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.743   3.001   2.390  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.532   3.428   2.909  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.553   1.117  -0.673  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        0.601   0.785  -1.292  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1        0.653   3.100   2.253  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.758   1.224  -0.764  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -1.673   0.625  -1.302  0.00  0.00    -0.314 N 
ATOM     12  C   LIG    1       -2.325  -0.553  -0.740  0.00  0.00    +0.114 C 
ATOM     13  C   LIG    1       -3.665  -0.596  -1.497  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -3.990   0.892  -1.674  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -2.623   1.528  -1.937  0.00  0.00    +0.107 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -4.753  -1.399  -0.825  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -5.334  -2.481  -1.504  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -6.340  -3.243  -0.907  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.781  -2.934   0.377  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.216  -1.864   1.064  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.209  -1.101   0.468  0.00  0.00    +0.004 A 
ENDBRANCH  13  16
ENDBRANCH   7  11
BRANCH   1  22
ATOM     22  N   LIG    1        3.140   2.378   0.865  0.00  0.00    -0.214 N 
ATOM     23  H   LIG    1        3.269   3.343   1.167  0.00  0.00    +0.174 HD
BRANCH  22  24
ATOM     24  S   LIG    1        3.945   1.298   1.886  0.00  0.00    +0.072 S 
ATOM     25  O   LIG    1        2.980   0.557   2.667  0.00  0.00    -0.150 OA
ATOM     26  O   LIG    1        4.990   2.069   2.527  0.00  0.00    -0.150 OA
BRANCH  24  30
ATOM     27  C   LIG    1        5.968  -1.553  -1.053  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        6.509  -0.286  -0.807  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        5.896   0.590   0.090  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.726   0.193   0.740  0.00  0.00    +0.109 A 
ATOM     31  C   LIG    1        4.185  -1.077   0.518  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1        4.806  -1.946  -0.385  0.00  0.00    +0.047 A 
BRANCH  27  34
ATOM     33  C   LIG    1        6.152  -3.594  -2.259  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        6.668  -2.304  -1.956  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  24  30
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6