REMARK  Name = BDB021331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.550  -3.769   0.438  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        1.629  -2.971   0.154  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.204  -1.732   0.331  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -0.118  -1.709   0.732  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.825  -0.516   0.990  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.218   0.626   0.828  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.098   0.620   0.420  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.854  -0.472   0.178  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.546  -3.016   0.793  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.260  -0.299  -0.258  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1        4.142   0.544   0.439  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        5.473   0.692   0.021  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        5.933  -0.011  -1.097  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.070  -0.860  -1.789  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.745  -1.004  -1.370  0.00  0.00    +0.009 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.353   1.598   0.797  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        6.024   2.245   1.774  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        7.605   1.655   0.311  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        8.063   2.278   0.914  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1        0.637  -6.355   0.280  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1        0.623  -5.195   0.344  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  N   LIG    1       -2.140  -0.608   1.403  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.400  -1.443   1.913  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.904   0.565   1.801  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.354   1.383   0.623  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -3.984   0.845  -0.496  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.279  -0.565  -0.850  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.228  -0.335  -2.025  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -4.976   0.973  -2.584  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.386   1.656  -1.552  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -4.192   3.022  -1.551  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -3.588   3.589  -0.431  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -3.186   2.776   0.639  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -2.633   3.367   1.708  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 7