REMARK  Name = BDB021314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.413   0.654  -0.536  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.708   0.783   0.701  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.340   0.592   0.668  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.131   0.807   1.943  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.986   1.083   2.696  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.359   0.289  -0.513  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.281   0.222  -1.646  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.121   1.067   1.924  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.651   0.391  -1.623  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.902  -0.918  -2.216  0.00  0.00    +0.152 C 
ATOM     11  N   LIG    1        6.060   0.030  -1.503  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1        4.684  -0.210  -1.418  0.00  0.00    +0.259 A 
ATOM     13  O   LIG    1        4.142  -1.191  -1.926  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        3.867   0.812  -0.655  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        4.522   1.832  -0.068  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        5.949   1.984  -0.173  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        6.665   1.101  -0.874  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        1.031   1.378   4.096  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        1.026   1.617   5.233  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.723   0.095  -0.497  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.029   0.108  -1.472  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.254  -1.129   0.104  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.740  -1.201  -0.102  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.622  -0.252   0.409  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.355   1.000   1.158  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.777   1.328   1.615  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.717   0.672   0.734  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.990  -0.351   0.185  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.546  -1.383  -0.543  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.686  -2.356  -1.050  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.306  -2.260  -0.825  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.513  -3.216  -1.331  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5