REMARK  Name = BDB020469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.789  -1.103   0.634  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        2.736  -0.673   1.360  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        1.533  -0.598   0.738  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.295  -0.919  -0.608  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        2.418  -1.362  -1.339  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.275  -1.705  -2.694  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.037  -1.616  -3.329  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.076  -1.176  -2.618  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.038  -0.818  -1.265  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.667  -1.455  -0.706  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.148  -0.358  -0.567  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -1.940   0.713  -0.924  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -1.911   1.718  -1.999  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -2.430   2.980  -1.486  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -3.531   3.033  -0.632  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -3.992   1.726   0.019  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -5.231   1.210  -0.706  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -4.149   4.078  -0.416  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -2.055   4.181  -2.212  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -2.929   0.741   0.022  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.690  -0.256   0.922  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.619  -0.941   0.585  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.533  -0.562   2.193  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.536  -1.964   2.746  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.759  -1.427   2.064  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  29
ATOM     26  C   LIG    1        7.847  -0.565   4.000  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        6.949  -0.947   2.877  0.00  0.00    +0.076 A 
ATOM     28  S   LIG    1        5.361  -0.304   2.794  0.00  0.00    -0.071 S 
ATOM     29  C   LIG    1        5.070  -1.187   1.344  0.00  0.00    +0.057 A 
ATOM     30  C   LIG    1        6.213  -1.908   1.040  0.00  0.00    +0.128 A 
ATOM     31  N   LIG    1        7.282  -1.766   1.904  0.00  0.00    -0.252 NA
ENDBRANCH   1  29
TORSDOF 3