REMARK  Name = BDB021508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.722   0.815   1.693  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.314  -0.321   1.003  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.952  -0.686   0.915  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.790  -1.836   0.191  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.760  -2.684   0.668  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.553  -2.205   0.104  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.185  -1.180   0.928  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.535  -0.043   1.423  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -1.224   0.898   1.840  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.960   0.118   1.491  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        1.399   1.261   2.201  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.754   1.597   2.310  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.009   1.239   1.858  0.00  0.00    -0.487 OA
BRANCH  13  16
ATOM     14  N   LIG    1        8.378   0.770   0.987  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1        7.205   1.655   0.942  0.00  0.00    +0.129 C 
ATOM     16  C   LIG    1        6.006   0.695   0.989  0.00  0.00    +0.189 C 
ATOM     17  C   LIG    1        6.591  -0.607   1.548  0.00  0.00    +0.061 C 
ATOM     18  C   LIG    1        8.008  -0.259   1.968  0.00  0.00    +0.088 C 
BRANCH  14  20
ATOM     19  C   LIG    1       10.072   2.446   0.284  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        9.621   1.453   1.350  0.00  0.00    +0.081 C 
ENDBRANCH  14  20
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -2.663  -1.139   0.872  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.192  -0.183  -0.226  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.479   1.089   0.380  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.677   1.325   0.894  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -4.459  -0.774  -0.899  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.814  -0.139  -2.188  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.809  -0.934  -2.931  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.232  -0.821  -2.426  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.644   0.295  -1.677  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.979   0.393  -1.253  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -9.906  -0.600  -1.590  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -9.505  -1.693  -2.350  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.646   1.357  -1.280  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -8.176  -1.805  -2.769  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.320   1.239  -2.054  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 8