REMARK  Name = BDB018502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.518  -0.603   0.730  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        0.716   0.025  -0.451  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.500   0.381  -0.870  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -1.500   0.023   0.044  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -0.823  -0.604   1.065  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.915   0.216  -0.054  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.672   1.019   0.928  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -5.012   1.092   0.814  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -5.749   0.441  -0.295  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -6.971   0.540  -0.341  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -4.965  -0.242  -1.214  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -5.605  -0.914  -2.335  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -3.593  -0.352  -1.071  0.00  0.00    +0.097 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -2.932   1.692   2.019  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.265   3.120   2.389  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -1.974   2.814   1.695  0.00  0.00    +0.009 C 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  18
ATOM     17  C   LIG    1        2.863  -1.451   0.965  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1        1.608  -1.090   1.505  0.00  0.00    +0.077 A 
ATOM     19  C   LIG    1        1.398  -1.235   2.896  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.403  -1.713   3.738  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.635  -2.069   3.211  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.858  -1.944   1.841  0.00  0.00    +0.015 A 
BRANCH  17  25
ATOM     23  N   LIG    1        3.085  -0.330  -1.222  0.00  0.00    -0.186 N 
ATOM     24  H   LIG    1        2.312   0.281  -0.933  0.00  0.00    +0.176 HD
ATOM     25  C   LIG    1        3.291  -1.487  -0.468  0.00  0.00    +0.265 C 
ATOM     26  O   LIG    1        3.935  -2.439  -0.885  0.00  0.00    -0.269 OA
BRANCH  23  27
ATOM     27  S   LIG    1        3.300  -0.247  -2.866  0.00  0.00    +0.045 S 
ATOM     28  O   LIG    1        2.900   1.093  -3.251  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1        2.670  -1.393  -3.483  0.00  0.00    -0.155 OA
BRANCH  27  31
ATOM     30  C   LIG    1        5.838   0.670  -2.276  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1        5.075  -0.370  -3.069  0.00  0.00    +0.185 C 
ENDBRANCH  27  31
ENDBRANCH  23  27
ENDBRANCH  17  25
ENDBRANCH   1  18
TORSDOF 6