REMARK  Name = BDB021628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.486   1.392   2.249  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.784   1.617   1.070  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.169   2.213   0.247  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.036   2.307  -1.197  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.260   2.988  -1.574  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -2.275   2.019  -1.761  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.754   1.390  -0.649  0.00  0.00    +0.134 A 
ATOM      8  C   LIG    1       -4.037   0.859  -0.900  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -4.749   0.167   0.077  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -4.178  -0.013   1.327  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -2.899   0.494   1.579  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -2.151   1.199   0.602  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -6.050  -0.351  -0.205  0.00  0.00    -0.061 C 
ATOM     14  C   LIG    1       -7.144  -0.786  -0.444  0.00  0.00    -0.061 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -8.446  -1.305  -0.727  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -9.575  -0.523  -0.501  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1      -10.813  -1.069  -0.792  0.00  0.00    +0.112 A 
ATOM     18  N   LIG    1      -10.986  -2.316  -1.282  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -9.872  -3.050  -1.491  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -8.591  -2.594  -1.232  0.00  0.00    +0.036 A 
ENDBRANCH  14  15
ENDBRANCH   9  13
BRANCH   3  21
ATOM     21  C   LIG    1        1.504   2.491   0.814  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.402   1.231   0.874  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.050   0.421   2.003  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.118   0.616   2.239  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.890   1.654   0.984  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.942   0.632   0.838  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.981   0.033  -0.504  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.056  -1.025  -0.654  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.592  -1.671   0.475  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.562  -2.669   0.313  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.980  -3.043  -0.964  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.438  -2.419  -2.086  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.169  -1.242   1.859  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        6.479  -1.417  -1.933  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.867  -0.426   1.854  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7