REMARK  Name = BDB053682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.596  -2.055  -1.626  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -1.637  -1.443  -2.426  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.603  -1.781  -0.703  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1        0.478  -1.196  -1.313  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1        0.537  -1.185  -2.316  0.00  0.00    +0.158 HD
ATOM      6  O   LIG    1       -0.714  -2.064   0.482  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.579  -0.779  -0.620  0.00  0.00    +0.167 A 
ATOM      8  S   LIG    1        2.848  -0.226  -1.617  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        3.792   0.104  -0.213  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        3.049  -0.234   0.918  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        3.628  -0.046   2.187  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        4.927   0.472   2.295  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        5.669   0.810   1.156  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        5.095   0.625  -0.116  0.00  0.00    +0.029 A 
ATOM     15  N   LIG    1        1.784  -0.732   0.669  0.00  0.00    -0.225 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.026   1.351   1.240  0.00  0.00    +0.179 A 
ATOM     17  N   LIG    1        7.744   1.557   2.387  0.00  0.00    -0.239 N 
ATOM     18  H   LIG    1        7.495   1.384   3.351  0.00  0.00    +0.192 HD
ATOM     19  N   LIG    1        8.950   2.064   2.104  0.00  0.00    -0.046 NA
ATOM     20  N   LIG    1        8.976   2.169   0.785  0.00  0.00    -0.023 NA
ATOM     21  N   LIG    1        7.796   1.732   0.236  0.00  0.00    -0.108 NA
ENDBRANCH  13  16
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -2.870  -2.594  -1.197  0.00  0.00    +0.141 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -5.745   0.602  -0.716  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -4.829   0.320   0.297  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -3.906  -0.720   0.141  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -3.888  -1.495  -1.027  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.805  -1.202  -2.044  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -5.726  -0.163  -1.884  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.766   2.379   0.486  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.694   1.586  -0.693  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5