REMARK  Name = BDB028277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.225   1.698   0.466  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        4.167   0.857  -0.149  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        4.221   0.676  -1.529  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        3.257  -0.098  -2.183  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.235  -0.700  -1.448  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        2.171  -0.531  -0.060  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        5.316   1.296  -2.292  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1        5.402   1.166  -3.508  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        6.229   2.018  -1.563  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        6.993   2.451  -2.073  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        3.146   0.244   0.588  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1        6.197   2.229  -0.220  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.129  -1.168   0.718  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.233  -1.026   0.514  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.037  -0.244  -0.464  0.00  0.00    +0.163 C 
ATOM     16  N   LIG    1       -2.477  -0.471  -0.310  0.00  0.00    -0.293 N 
ATOM     17  C   LIG    1       -2.966  -0.745   1.044  0.00  0.00    +0.131 C 
ATOM     18  C   LIG    1       -2.247  -1.930   1.669  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -3.285   0.015  -1.345  0.00  0.00    +0.222 C 
ATOM     20  O   LIG    1       -2.765   0.486  -2.368  0.00  0.00    -0.275 OA
ATOM     21  N   LIG    1       -0.820  -1.773   1.497  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1        0.042  -2.370   2.333  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        1.234  -1.999   1.858  0.00  0.00    +0.143 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -4.776  -0.046  -1.226  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -5.737  -1.262  -1.054  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -6.729  -0.061  -1.243  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -5.758   0.734  -0.300  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -5.761   0.381  -2.384  0.00  0.00    +0.019 C 
ENDBRANCH  19  24
ENDBRANCH   6  13
BRANCH   1  29
ATOM     29  C   LIG    1        5.206   1.967   1.968  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.704   0.785   2.675  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1        6.656   0.598   2.352  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1        5.795   1.009   3.666  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 4