REMARK  Name = BDB021496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.409  -0.559   0.586  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        2.571  -1.512   1.166  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.280  -1.200   1.643  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        0.682  -2.311   2.162  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.496  -2.147   2.929  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -1.619  -1.595   2.076  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.645  -0.143   2.155  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.539   0.664   1.912  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.647   1.892   1.978  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.800   0.107   1.521  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        1.667   1.063   0.936  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.950   0.741   0.477  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        4.624  -1.035   0.190  0.00  0.00    -0.489 OA
BRANCH  13  18
ATOM     14  C   LIG    1        9.274  -0.266  -0.261  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        8.351   0.573  -1.024  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1        7.559  -0.205  -1.984  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        6.449  -1.035  -1.343  0.00  0.00    +0.060 C 
ATOM     18  C   LIG    1        5.539  -0.159  -0.478  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1        6.385   0.607   0.541  0.00  0.00    +0.060 C 
ATOM     20  C   LIG    1        7.497   1.390  -0.153  0.00  0.00    +0.087 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -2.964   0.493   2.304  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.837   0.491   1.023  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -4.187  -0.861   0.715  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -4.998  -0.815   0.179  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.131   1.192  -0.166  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.873   1.523  -1.391  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.242   2.005  -1.248  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.298   0.926  -1.353  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.028  -0.295  -2.001  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.037  -1.260  -2.114  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.312  -1.010  -1.607  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.587   0.204  -0.980  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.637  -0.608  -2.501  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.587   1.169  -0.858  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.716   0.616  -2.524  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7