REMARK  Name = BDB046479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.209  -1.340  -1.088  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1       -3.339  -1.942  -0.586  0.00  0.00    +0.347 A 
ATOM      3  O   LIG    1       -4.075  -2.727  -1.163  0.00  0.00    -0.245 OA
ATOM      4  N   LIG    1       -3.466  -1.458   0.716  0.00  0.00    -0.206 N 
ATOM      5  N   LIG    1       -2.466  -0.547   0.982  0.00  0.00    -0.153 NA
ATOM      6  C   LIG    1       -1.754  -0.531  -0.109  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.617  -1.670   1.575  0.00  0.00    +0.139 C 
ATOM      8  C   LIG    1       -4.225  -1.765   3.052  0.00  0.00    +0.038 C 
BRANCH   7   9
ATOM      9  C   LIG    1       -5.691  -0.620   1.320  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1       -6.868  -0.972   0.639  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -7.858  -0.019   0.389  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -7.684   1.297   0.809  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.515   1.666   1.472  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.524   0.715   1.722  0.00  0.00    +0.006 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  C   LIG    1       -1.705  -1.561  -2.431  0.00  0.00    +0.128 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.545   0.621  -3.447  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -2.563  -0.898  -3.513  0.00  0.00    +0.018 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  C   LIG    1       -0.521   0.310  -0.297  0.00  0.00    +0.077 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.174   1.154   0.930  0.00  0.00    +0.012 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.015   2.091   0.692  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.313   1.368   0.426  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        2.955   0.659   1.451  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.144  -0.025   1.198  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.715   0.018  -0.071  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1        4.071   0.688  -1.107  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        2.881   1.374  -0.857  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  O   LIG    1        5.849  -0.702  -0.306  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.096   0.028  -0.251  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1        7.223   1.040   0.898  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        7.374   0.705  -1.599  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1        8.161  -1.055  -0.020  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1        9.168  -1.252  -0.685  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.921  -1.831   1.062  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        8.653  -2.482   1.054  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 12