REMARK  Name = BDB020502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.685   0.645   1.145  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.807   0.520   0.278  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        3.103   0.673   0.809  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        4.213   0.567   0.060  0.00  0.00    -0.243 NA
ATOM      5  C   LIG    1        4.085   0.291  -1.271  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        2.867   0.117  -1.908  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        3.251   0.942   2.163  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        2.154   1.068   3.015  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.724   0.242  -1.106  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        0.871   0.919   2.506  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.885  -0.439   1.374  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.903  -0.979   0.340  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -2.699  -0.174   0.280  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -1.573  -0.469   1.001  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -0.671   0.511   0.651  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.219   1.364  -0.276  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -1.546  -1.645   1.886  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -2.347  -2.704   1.284  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -2.083  -4.059   1.734  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.442   0.925  -0.487  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -3.571  -2.438   0.669  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -4.388  -3.327   0.419  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.420   1.586  -1.499  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.278   3.057  -1.796  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.445   2.565  -0.992  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.398   0.182  -1.961  0.00  0.00    +0.168 A 
ATOM     27  N   LIG    1        6.490   0.609  -1.261  0.00  0.00    -0.298 N 
ATOM     28  H   LIG    1        6.432   0.959  -0.316  0.00  0.00    +0.171 HD
ATOM     29  C   LIG    1        7.658   0.467  -1.921  0.00  0.00    +0.307 A 
ATOM     30  O   LIG    1        8.776   0.747  -1.529  0.00  0.00    -0.258 OA
ATOM     31  S   LIG    1        7.252  -0.222  -3.484  0.00  0.00    +0.075 S 
ATOM     32  N   LIG    1        5.588  -0.296  -3.151  0.00  0.00    -0.186 NA
ENDBRANCH   5  26
BRANCH   6  33
ATOM     33  C   LIG    1        2.739  -0.132  -3.380  0.00  0.00    +0.374 C 
ATOM     34  F   LIG    1        3.122   0.945  -4.119  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        1.450  -0.383  -3.761  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4