REMARK  Name = BDB021225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.213  -0.122   0.592  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -0.375  -1.277   0.656  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.991  -1.063   0.668  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.596  -2.300   0.703  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.560  -3.205   0.730  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.570   0.223   0.637  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.793   1.268   0.577  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.654  -2.568   0.706  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.571   1.067   0.563  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.132  -1.629   2.718  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.497  -0.850   1.508  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -2.648  -0.194   0.577  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -3.497   0.358  -0.369  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.226   1.118  -1.618  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -4.764   0.045   0.058  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1       -4.786  -0.690   1.188  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1       -6.040   0.384  -0.558  0.00  0.00    +0.174 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.804  -0.875  -0.983  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1       -7.975  -0.523  -1.890  0.00  0.00    +0.039 C 
BRANCH  18  20
ATOM     20  O   LIG    1       -7.339  -1.550   0.160  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -6.598  -1.624   0.803  0.00  0.00    +0.210 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   5  22
ATOM     22  C   LIG    1        0.661  -4.632   0.770  0.00  0.00    +0.121 C 
ATOM     23  N   LIG    1        0.789  -5.786   0.806  0.00  0.00    -0.189 NA
ENDBRANCH   5  22
BRANCH   6  24
ATOM     24  N   LIG    1        2.944   0.331   0.664  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.459  -0.439   1.076  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.587   1.615   0.886  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.058   1.486   0.619  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.579   1.460  -0.671  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.899   1.616  -1.980  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        6.037   1.185  -2.904  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        7.297   1.353  -2.213  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        6.946   1.341  -0.889  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        7.851   1.240   0.148  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1        7.350   1.242   1.449  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        5.971   1.360   1.673  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1        5.525   1.347   2.937  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 8