REMARK  Name = BDB021968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.548   0.127  -0.206  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1       -2.590   0.932  -0.820  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.305  -0.365   0.112  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -0.256   0.547  -0.051  0.00  0.00    -0.275 N 
ATOM      5  O   LIG    1       -1.098  -1.514   0.500  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.913   0.116  -0.664  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -3.806  -0.500  -0.042  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -3.998  -1.662   0.711  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.275  -2.226   0.846  0.00  0.00    -0.048 A 
ATOM     10  C   LIG    1       -5.457  -3.497   1.623  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.360  -1.622   0.204  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -6.183  -0.454  -0.541  0.00  0.00    +0.048 A 
BRANCH   6  14
ATOM     13  C   LIG    1       -5.725   1.931  -1.984  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.631   1.263  -1.370  0.00  0.00    -0.493 OA
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        1.139   0.105   0.160  0.00  0.00    +0.080 C 
ATOM     16  C   LIG    1        1.565  -1.049  -0.769  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        2.510  -2.034  -0.078  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        3.513  -1.293   0.689  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.909  -0.584   1.832  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        1.437  -0.205   1.630  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        4.616  -2.171   1.113  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.791  -1.415   1.699  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        6.495  -0.482   0.922  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        7.582   0.211   1.456  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.978  -0.021   2.772  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.287  -0.946   3.554  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.199  -1.641   3.021  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  15
BRANCH   4  28
ATOM     28  C   LIG    1       -0.472   1.991  -0.174  0.00  0.00    +0.183 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.628   2.374  -1.602  0.00  0.00    +0.122 A 
ATOM     30  O   LIG    1       -1.566   3.332  -1.865  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1       -1.568   3.535  -3.211  0.00  0.00    +0.102 A 
ATOM     32  C   LIG    1       -2.520   4.542  -3.718  0.00  0.00    +0.086 C 
ATOM     33  C   LIG    1       -0.638   2.719  -3.816  0.00  0.00    +0.045 A 
ATOM     34  C   LIG    1       -0.029   1.971  -2.780  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7