REMARK  Name = BDB000211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.189   1.302  -0.277  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.517   0.161   0.507  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        1.324  -0.945  -0.015  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.133   0.408   1.803  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        1.316   1.655   2.546  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.797   1.334   3.956  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        0.969  -0.174   4.077  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        0.546   2.836   1.952  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1        1.182   3.429   0.698  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        0.653  -0.674   2.672  0.00  0.00    +0.162 C 
ATOM     11  C   LIG    1        1.234   2.476  -0.491  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        3.619   1.283  -2.307  0.00  0.00    +0.242 C 
ATOM     13  N   LIG    1        2.608   0.737  -1.559  0.00  0.00    -0.302 N 
ATOM     14  H   LIG    1        2.203  -0.161  -1.810  0.00  0.00    +0.150 HD
ATOM     15  O   LIG    1        4.197   2.325  -1.997  0.00  0.00    -0.273 OA
BRANCH  12  17
ATOM     16  C   LIG    1        4.431  -0.885  -3.343  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1        3.966   0.537  -3.607  0.00  0.00    +0.197 C 
BRANCH  17  18
ATOM     18  O   LIG    1        5.005   1.216  -4.313  0.00  0.00    -0.383 OA
ATOM     19  H   LIG    1        5.149   2.058  -3.835  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   1  13
BRANCH  10  20
ATOM     20  C   LIG    1       -0.855  -0.906   2.432  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1       -1.124  -1.493   1.213  0.00  0.00    -0.303 N 
ATOM     22  H   LIG    1       -0.358  -1.492   0.542  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -1.726  -0.590   3.238  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.462  -1.500   0.653  0.00  0.00    +0.134 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.647  -0.211  -0.148  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1       -3.258   0.901   0.456  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.407   2.100  -0.243  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.940   2.208  -1.551  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.317   1.120  -2.160  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.164  -0.079  -1.462  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -2.773  -2.766  -0.145  0.00  0.00    -0.023 A 
ATOM     32  C   LIG    1       -4.088  -2.976  -0.601  0.00  0.00    +0.006 A 
ATOM     33  C   LIG    1       -4.423  -4.115  -1.336  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.451  -5.069  -1.624  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.145  -4.883  -1.177  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -1.807  -3.743  -0.443  0.00  0.00    +0.006 A 
ENDBRANCH  24  31
ENDBRANCH  21  24
ENDBRANCH  10  20
TORSDOF 7