REMARK  Name = BDB064678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.365  -0.210   1.211  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.213  -0.939   1.020  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.820  -1.005   2.059  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.579  -2.284   1.714  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        1.554  -2.300   0.188  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.170  -1.732  -0.143  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.567   0.400   2.265  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.794   0.197   2.033  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.601   1.092   1.005  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.866   0.911   0.329  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.719   0.295   2.839  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.583   2.086   0.651  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.475   1.556  -0.443  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        3.085   1.646  -1.787  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.894   1.118  -2.794  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.094   0.488  -2.468  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.484   0.379  -1.134  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.676   0.907  -0.125  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  19
ATOM     19  O   LIG    1        1.720  -3.624  -0.291  0.00  0.00    -0.390 OA
ATOM     20  H   LIG    1        1.912  -3.567  -1.244  0.00  0.00    +0.210 HD
ENDBRANCH   5  19
BRANCH   1  21
ATOM     21  C   LIG    1       -2.354  -0.087   0.025  0.00  0.00    +0.164 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -1.741   3.574  -0.746  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -1.519   2.087  -0.765  0.00  0.00    +0.211 C 
ATOM     24  N   LIG    1       -2.527   1.358  -0.170  0.00  0.00    -0.304 N 
ATOM     25  H   LIG    1       -3.020   1.841   0.574  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -0.506   1.578  -1.238  0.00  0.00    -0.276 OA
ENDBRANCH  21  24
BRANCH  21  27
ATOM     27  C   LIG    1       -3.706  -0.831   0.252  0.00  0.00    -0.011 C 
ATOM     28  C   LIG    1       -4.476  -0.340   1.493  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -4.609  -0.628  -0.985  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -3.455  -2.344   0.406  0.00  0.00    +0.013 C 
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 7