REMARK  Name = BDB026668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.611  -2.843  -0.497  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.278  -3.245  -0.340  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.306  -2.276  -0.053  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.036  -2.443   0.128  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -0.517  -1.239   0.365  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.477  -0.271   0.337  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        1.672  -0.938   0.078  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.996  -0.512  -0.122  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.959  -1.490  -0.406  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.324   1.122   0.561  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -0.734   1.813  -0.038  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.898   3.184   0.192  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -1.958   3.972  -0.528  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -2.405   5.168   0.295  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -1.233   5.955   0.837  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -0.141   5.229   1.232  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        0.582   5.753   1.710  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -1.280   7.170   1.010  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        0.011   3.858   1.013  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        1.083   3.180   1.591  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.240   1.810   1.368  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        6.932  -4.648  -0.491  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.908  -3.642  -0.355  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        6.046  -2.925   0.343  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.626  -3.889  -0.803  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.299  -4.913  -1.391  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -2.038  -1.063   0.807  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1       -2.316  -0.467   2.176  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -2.464  -1.940   1.983  0.00  0.00    +0.020 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -3.035  -0.954  -0.340  0.00  0.00    -0.034 A 
ATOM     31  C   LIG    1       -3.132  -1.973  -1.306  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.037  -1.899  -2.368  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.877  -0.798  -2.489  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.813   0.224  -1.548  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.905   0.143  -0.488  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH   5  27
TORSDOF 4