REMARK  Name = BDB020922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.100  -0.305   3.066  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.055  -0.051   1.862  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.151   0.164   1.189  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        2.356   0.262   2.013  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        3.615  -0.151   1.259  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.737   0.620  -0.062  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        2.474   0.399  -0.904  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1        1.222   0.799  -0.130  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.998   0.254  -0.825  0.00  0.00    -0.044 A 
ATOM     10  C   LIG    1        5.240  -1.055  -1.269  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.407  -1.366  -1.970  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.347  -0.373  -2.237  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.121   0.930  -1.803  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.955   1.242  -1.102  0.00  0.00    +0.004 A 
ENDBRANCH   6   9
BRANCH   2  15
ATOM     15  C   LIG    1       -1.325   0.006   1.031  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.568  -0.267   1.873  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.767  -0.398   0.971  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -4.075  -1.668   0.564  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -3.548  -2.464   0.893  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -5.123  -1.955  -0.273  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1       -5.385  -3.101  -0.617  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1       -5.907  -0.796  -0.729  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1       -5.515   0.466  -0.272  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -6.242   1.581  -0.690  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -7.338   1.437  -1.546  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.718   0.170  -1.994  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.001  -0.954  -1.586  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1       -4.418   0.651   0.588  0.00  0.00    -0.234 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 4