REMARK  Name = BDB021555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.058  -0.196  -0.175  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.599  -0.004  -1.489  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        0.175   0.162  -2.063  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -1.002  -1.061   0.685  0.00  0.00    +0.140 C 
BRANCH   4   7
ATOM      5  O   LIG    1       -3.290  -2.166  -0.371  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -3.399  -1.044   0.133  0.00  0.00    +0.250 C 
ATOM      7  N   LIG    1       -2.343  -0.478   0.843  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -2.449   0.772   1.571  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1       -3.662   0.750   2.480  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -4.793   1.306   1.835  0.00  0.00    -0.490 OA
ATOM     11  C   LIG    1       -5.257   0.706   0.701  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1       -6.489   1.270   0.311  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -7.177   0.829  -0.817  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.639  -0.191  -1.582  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.416  -0.754  -1.212  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -4.696  -0.320  -0.071  0.00  0.00    +0.078 A 
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        1.328  -0.870  -0.301  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.223  -0.132  -1.223  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.408  -0.944  -1.574  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.622  -0.688  -0.715  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        4.952   0.650  -0.438  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        6.112   0.957   0.274  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.936  -0.074   0.726  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.609  -1.405   0.459  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.002   1.698  -0.951  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        5.457  -1.714  -0.267  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.562   1.215  -0.700  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5