REMARK  Name = BDB051213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.877  -0.989  -0.521  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.420   0.269  -0.480  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.286   1.233  -0.119  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.595   0.935   0.207  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -2.987  -0.391   0.145  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1       -2.134  -1.352  -0.236  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.732   2.602  -0.080  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.617   2.817   0.266  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.161   4.104   0.319  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.367   5.207   0.021  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.965   5.023  -0.335  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.508   3.735  -0.386  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -4.341  -0.690   0.454  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -4.664  -0.128   1.235  0.00  0.00    +0.155 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -4.960  -1.869   0.189  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1       -6.145  -2.196   0.793  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -6.670  -1.652   1.466  0.00  0.00    +0.190 HD
ATOM     18  N   LIG    1       -6.645  -3.387   0.423  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -5.747  -3.845  -0.459  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -5.941  -5.162  -1.109  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -4.685  -2.930  -0.644  0.00  0.00    +0.068 A 
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   1  22
ATOM     22  S   LIG    1        0.238  -2.291  -1.003  0.00  0.00    -0.050 S 
BRANCH  22  26
ATOM     23  C   LIG    1        4.329  -0.363  -0.160  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.812  -0.407  -1.461  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.570  -0.997  -1.717  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        1.824  -1.549  -0.674  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        2.343  -1.521   0.622  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        3.586  -0.928   0.878  0.00  0.00    +0.024 A 
BRANCH  23  31
ATOM     29  C   LIG    1        7.596   1.139   0.980  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        6.274   0.446   1.196  0.00  0.00    +0.214 C 
ATOM     31  N   LIG    1        5.585   0.254   0.012  0.00  0.00    -0.286 N 
ATOM     32  H   LIG    1        6.020   0.609  -0.830  0.00  0.00    +0.155 HD
ATOM     33  O   LIG    1        5.903   0.144   2.324  0.00  0.00    -0.276 OA
ENDBRANCH  23  31
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6