REMARK  Name = BDB021217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.249  -2.662  -0.832  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.272  -1.782  -0.571  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.692  -0.606  -0.399  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1        1.318  -0.716  -0.503  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.451   0.378  -0.344  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.936   1.567  -0.129  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.308   1.690  -0.023  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        3.222   0.697  -0.134  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        1.032  -2.026  -0.809  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.669   1.028   0.022  0.00  0.00    +0.079 A 
ATOM     11  N   LIG    1        4.963   2.220   0.596  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        6.262   2.519   0.746  0.00  0.00    +0.221 A 
ATOM     13  N   LIG    1        7.294   1.751   0.380  0.00  0.00    -0.244 NA
ATOM     14  C   LIG    1        6.968   0.579  -0.186  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        5.670   0.166  -0.391  0.00  0.00    +0.048 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  N   LIG    1        2.680  -5.173  -1.312  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        2.499  -4.046  -1.096  0.00  0.00    +0.121 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -0.911   0.207  -0.442  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.325   1.129  -0.576  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.616  -0.446   0.657  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.050  -0.657   0.276  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.020   0.332   0.409  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.905   1.733   0.882  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.390   2.071   1.026  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.158   1.184   0.183  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.330   0.107   0.002  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.736  -1.090  -0.553  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.783  -2.098  -0.692  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.461  -1.876  -0.282  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -2.569  -2.865  -0.439  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5