REMARK  Name = BDB042584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.934   0.371   0.946  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.297   0.207   1.821  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.514   0.038   1.166  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.680  -0.301   1.991  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        4.020   0.100   1.349  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        4.103  -0.403  -0.047  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        2.974   0.070  -0.874  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.630  -0.349  -0.248  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1        0.216   0.244   3.049  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.395  -0.327  -0.590  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        5.725   0.456  -1.706  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        7.030   0.489  -2.216  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        8.037  -0.273  -1.623  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        7.731  -1.069  -0.520  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        6.425  -1.093  -0.017  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.371  -0.242  -2.145  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       10.451  -0.215  -2.569  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.194   0.607   1.782  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -6.495  -2.324   0.587  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -6.550  -1.014  -0.152  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -5.543  -0.033  -0.028  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -5.668   1.171  -0.752  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.615   2.209  -0.625  0.00  0.00    +0.257 A 
ATOM     24  N   LIG    1       -3.561   1.913   0.209  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.868   2.648   0.295  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.421   0.742   0.914  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.675   3.272  -1.232  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.763   1.410  -1.585  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -7.742   0.437  -1.695  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -8.798   0.650  -2.490  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.360  -0.214   0.828  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.647  -0.761  -0.994  0.00  0.00    +0.042 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5