REMARK  Name = BDB021787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.691   0.299  -0.575  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -2.541  -0.668  -1.122  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.128  -1.966  -0.942  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.499  -2.118  -0.170  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.577  -0.341  -1.698  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.306   0.058  -0.109  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -0.258  -0.137   1.418  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.103   0.241   2.017  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        2.170  -0.095   1.077  0.00  0.00    -0.300 NA
ATOM     10  C   LIG    1        2.132   0.705  -0.150  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        0.707   1.122  -0.549  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.497  -0.314   1.673  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        4.256  -1.328   0.793  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.408   0.917   1.904  0.00  0.00    +0.018 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.892   1.995   2.865  0.00  0.00    -0.002 C 
ATOM     16  C   LIG    1        3.702   1.498   4.290  0.00  0.00    +0.004 C 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1       -2.705  -3.125  -1.497  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.312  -4.362  -0.968  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -2.848  -5.565  -1.458  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -3.763  -5.513  -2.513  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.140  -4.287  -3.059  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.613  -3.099  -2.553  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.409  -6.888  -0.880  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -2.212  -6.841   0.466  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -1.234  -7.323  -1.409  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.306  -7.887  -1.089  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -2.244   1.662  -0.489  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.237   2.398  -1.843  0.00  0.00    +0.123 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -1.553   4.655  -1.125  0.00  0.00    +0.236 C 
ATOM     30  N   LIG    1       -1.327   3.537  -1.889  0.00  0.00    -0.310 N 
ATOM     31  H   LIG    1       -0.652   3.572  -2.646  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -2.433   4.740  -0.275  0.00  0.00    -0.271 OA
BRANCH  29  34
ATOM     33  C   LIG    1       -0.724   6.940  -0.786  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -0.600   5.765  -1.418  0.00  0.00    +0.059 C 
ENDBRANCH  29  34
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 10