REMARK  Name = BDB063559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.202  -0.361  -4.354  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.327  -0.296  -2.866  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -1.183  -0.307  -1.929  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1        0.092  -0.380  -2.336  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1       -1.823  -0.224  -0.591  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1       -1.239  -0.203   0.478  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1       -3.194  -0.180  -0.892  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1       -3.476  -0.222  -2.254  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        1.279  -0.398  -1.556  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1        1.290  -0.304  -0.186  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1        0.468  -0.224   0.408  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        2.581  -0.345   0.283  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1        3.438  -0.448  -0.795  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        2.603  -0.497  -1.949  0.00  0.00    +0.038 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.895  -0.523  -0.784  0.00  0.00    +0.197 C 
ATOM     16  O   LIG    1        5.548  -0.887  -1.757  0.00  0.00    -0.287 OA
BRANCH  15  17
ATOM     17  C   LIG    1        5.622  -0.209   0.462  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        5.576   1.036   1.096  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        6.256   1.258   2.303  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        7.006   0.224   2.865  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        7.083  -1.014   2.225  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        6.398  -1.232   1.026  0.00  0.00    +0.014 A 
BRANCH  18  23
ATOM     23  N   LIG    1        4.859   2.151   0.507  0.00  0.00    +0.057 N 
ATOM     24  O   LIG    1        4.108   2.792   1.254  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        5.072   2.402  -0.685  0.00  0.00    -0.126 OA
ENDBRANCH  18  23
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   4   9
BRANCH   7  26
ATOM     26  C   LIG    1       -4.282  -0.098   0.014  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1       -5.602  -0.068  -0.472  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -6.697   0.015   0.397  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -6.483   0.078   1.775  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -5.182   0.028   2.278  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -4.092  -0.053   1.403  0.00  0.00    +0.026 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -7.611   0.162   2.730  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -7.641  -0.451   3.781  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -8.573   1.021   2.332  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -8.336   1.568   1.561  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH   7  26
TORSDOF 7