REMARK  Name = BDB033522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.423   2.050   1.277  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.661   1.521   0.870  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.868   2.121   1.243  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.824   3.292   2.007  0.00  0.00    +0.145 A 
ATOM      5  F   LIG    1       -3.971   3.888   2.371  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1       -1.618   3.861   2.390  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -0.425   3.245   2.014  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -4.149   1.632   0.895  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -4.917   2.204   1.231  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -4.447   0.489   0.186  0.00  0.00    +0.241 C 
ATOM     11  O   LIG    1       -3.655  -0.327  -0.266  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.915   0.314   0.012  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1       -6.381  -0.755  -0.650  0.00  0.00    +0.051 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.777  -0.947  -0.831  0.00  0.00    +0.128 A 
ATOM     15  O   LIG    1       -8.745  -0.085  -0.359  0.00  0.00    -0.464 OA
ATOM     16  C   LIG    1       -9.960  -0.572  -0.709  0.00  0.00    +0.195 A 
ATOM     17  C   LIG    1       -9.823  -1.744  -1.407  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -8.431  -1.984  -1.486  0.00  0.00    +0.049 A 
ENDBRANCH  13  14
ENDBRANCH  10  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  N   LIG    1        0.809   1.528   0.873  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        1.560   1.754   1.521  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.894   0.157   0.384  0.00  0.00    +0.136 C 
BRANCH  21  25
ATOM     22  C   LIG    1        5.077  -0.856  -0.174  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        4.430   0.029  -1.047  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        3.081   0.351  -0.868  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.348  -0.207   0.188  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        2.994  -1.084   1.068  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        4.344  -1.405   0.887  0.00  0.00    +0.009 A 
BRANCH  22  32
ATOM     28  C   LIG    1        9.519  -1.766  -2.203  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        8.435  -1.597  -1.266  0.00  0.00    -0.274 N 
ATOM     30  N   LIG    1        8.647  -1.837   0.040  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        7.457  -1.593   0.597  0.00  0.00    +0.142 A 
ATOM     32  C   LIG    1        6.479  -1.195  -0.345  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.156  -1.213  -1.548  0.00  0.00    +0.116 A 
ENDBRANCH  22  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7