REMARK  Name = BDB009019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.226  -0.817   1.245  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.147  -1.056   1.323  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.922  -0.499   2.355  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.295   0.281   3.333  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.077   0.511   3.273  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.833  -0.035   2.235  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.670  -1.981  -0.939  0.00  0.00    +0.251 C 
ATOM      8  N   LIG    1        2.058  -1.325   0.226  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        3.039  -1.081   0.301  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.506  -2.203  -1.270  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.881  -2.478  -1.797  0.00  0.00    +0.234 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.883  -1.361  -2.058  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        5.199  -1.456  -1.579  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        6.106  -0.417  -1.795  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.711   0.722  -2.493  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.411   0.822  -2.985  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.502  -0.214  -2.772  0.00  0.00    +0.006 A 
ENDBRANCH  11  12
BRANCH  11  19
ATOM     18  C   LIG    1        2.056  -4.353  -2.994  0.00  0.00    +0.195 C 
ATOM     19  O   LIG    1        2.544  -3.022  -3.071  0.00  0.00    -0.366 OA
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.410  -0.756   2.414  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.242   0.521   2.340  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.429   1.213   1.024  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -2.852   0.645  -0.243  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.432   1.279  -1.511  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.518   2.794  -1.375  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.397   3.188  -0.187  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.142   2.353   1.038  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.722   2.854   2.309  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.388   3.883   2.356  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -4.473   2.096   3.421  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -4.861   2.421   4.300  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.743   0.951   3.461  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6