REMARK  Name = BDB003954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.292   2.389  -0.715  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1       -2.328   1.321  -0.553  0.00  0.00    -0.323 N 
ATOM      3  C   LIG    1       -0.982   1.477  -0.802  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -0.345   0.278  -0.532  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        1.054   0.223  -0.718  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1        1.666   1.350  -1.166  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1        0.924   2.450  -1.394  0.00  0.00    +0.225 A 
ATOM      8  C   LIG    1       -1.361  -0.628  -0.132  0.00  0.00    +0.048 A 
ATOM      9  N   LIG    1       -0.397   2.607  -1.233  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -2.591   0.023  -0.142  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        1.801  -0.936  -0.464  0.00  0.00    -0.314 N 
ATOM     12  C   LIG    1        3.190  -0.946  -0.954  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1        4.074  -1.031   0.303  0.00  0.00    +0.064 C 
ATOM     14  C   LIG    1        4.304   0.368   0.887  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        3.989   0.680   2.034  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        4.861   1.297   0.048  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        4.583   2.224   0.355  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        6.215   1.389  -0.103  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        6.751   2.497  -0.047  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        7.045   0.133  -0.222  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        6.360  -1.047  -0.891  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1        5.398  -1.764   0.054  0.00  0.00    +0.018 C 
ATOM     23  C   LIG    1        3.174  -1.866   1.232  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1        1.773  -1.319   0.958  0.00  0.00    +0.107 C 
ENDBRANCH   5  11
BRANCH  10  25
ATOM     25  C   LIG    1       -3.857  -0.592   0.215  0.00  0.00    +0.356 C 
ATOM     26  O   LIG    1       -3.972  -1.746   0.603  0.00  0.00    -0.243 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -4.883   0.281   0.058  0.00  0.00    -0.454 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -6.249  -0.111   0.352  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1       -6.715  -1.243  -0.570  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.422  -0.466   1.832  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -7.084   1.143   0.048  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  10  25
TORSDOF 4