REMARK  Name = BDB048333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.470   0.244  -0.437  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.802   0.107  -0.527  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.354  -0.064  -1.741  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.577  -0.112  -2.880  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.226   0.030  -2.700  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.345   0.212  -1.500  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.006   0.431   0.858  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        0.781   0.444   1.490  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -3.717   0.800   1.288  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -2.464   0.614   0.679  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.275   0.612   1.419  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.372   0.802   2.805  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.609   0.988   3.424  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.779   0.987   2.666  0.00  0.00    +0.023 A 
BRANCH   9  17
ATOM     15  O   LIG    1       -6.629   1.154   1.915  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.166   0.942   0.805  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1       -4.847   0.782   0.446  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1       -4.667   0.634  -0.538  0.00  0.00    +0.155 HD
BRANCH  16  19
ATOM     19  C   LIG    1       -7.092   0.866  -0.361  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1       -7.106  -0.336  -1.278  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -8.248  -0.108  -0.332  0.00  0.00    +0.013 C 
ENDBRANCH  16  19
ENDBRANCH   9  17
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1        3.755  -0.218  -1.895  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        4.087   0.412  -2.618  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.729  -0.438  -0.896  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        6.061  -0.077  -1.153  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        7.084  -0.319  -0.217  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        6.767  -0.970   0.981  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.457  -1.366   1.236  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.452  -1.110   0.299  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1        8.506   0.077  -0.524  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        9.240   0.353   0.590  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        9.184  -0.900  -1.187  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.592   1.188  -1.309  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 7