REMARK  Name = BDB000204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.634  -0.689   0.922  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.575   0.406   1.167  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -0.804   1.604   1.023  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.649  -0.092   1.556  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        0.803  -1.485   1.921  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        2.287  -1.612   2.242  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        2.607  -0.244   2.853  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        0.291  -2.396   0.811  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1        1.767   0.737   2.021  0.00  0.00    +0.163 C 
ATOM     10  C   LIG    1       -0.993  -1.856   0.154  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.978  -0.701   0.137  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1       -2.744  -0.095   0.193  0.00  0.00    -0.303 N 
ATOM     13  H   LIG    1       -2.672   0.902  -0.000  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -4.181  -1.829   0.584  0.00  0.00    -0.274 OA
BRANCH  11  16
ATOM     15  C   LIG    1       -5.463   1.337   0.302  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.077   0.138  -0.553  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -6.268  -0.699  -0.795  0.00  0.00    -0.320 NA
ATOM     18  H   LIG    1       -5.967  -1.527  -1.313  0.00  0.00    +0.119 HD
ATOM     19  H   LIG    1       -6.564  -1.083   0.107  0.00  0.00    +0.119 HD
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        2.632   1.346   0.892  0.00  0.00    +0.238 C 
ATOM     21  N   LIG    1        2.346   0.829  -0.358  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        1.542   0.215  -0.389  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.527   2.144   1.160  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.980   1.102  -1.583  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        4.085   1.944  -1.719  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.661   2.158  -2.976  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.137   1.532  -4.104  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.036   0.690  -3.979  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        2.461   0.476  -2.724  0.00  0.00    +0.023 A 
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 5