REMARK  Name = BDB027574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.962  -0.899   0.894  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.034  -0.328   0.046  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.379  -0.675   0.134  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.107   0.417  -0.667  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.047   0.805  -1.706  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.254   0.731  -0.922  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.674  -1.697   1.782  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.028   0.405   0.726  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.519  -0.400  -0.303  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        3.190  -0.849  -0.279  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        2.368  -0.458   0.786  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        2.871   0.324   1.830  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        4.197   0.755   1.796  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.329   0.735  -0.197  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.356   0.881   0.766  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.603   1.432   1.578  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.209   0.235  -1.308  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.159   1.357   1.407  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.643   1.332   0.171  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
BRANCH  10  20
ATOM     20  O   LIG    1        2.624  -1.650  -1.236  0.00  0.00    -0.494 OA
ATOM     21  C   LIG    1        3.482  -2.195  -2.231  0.00  0.00    +0.277 C 
ENDBRANCH  10  20
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  N   LIG    1       -3.313  -0.041  -1.338  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -3.603   0.503  -2.144  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.441  -0.128  -0.535  0.00  0.00    +0.216 A 
ATOM     25  N   LIG    1       -5.599   0.156  -1.145  0.00  0.00    -0.215 NA
ATOM     26  C   LIG    1       -6.728   0.074  -0.424  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1       -6.727  -0.283   0.925  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.926  -0.364   1.662  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -9.140  -0.082   1.042  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -9.154   0.275  -0.302  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -5.477  -0.543   1.457  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.954   0.349  -1.018  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1       -4.333  -0.465   0.754  0.00  0.00    -0.222 NA
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 6