REMARK  Name = BDB052247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.297  -0.659   0.303  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.349  -1.094   1.240  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.000  -0.756   1.099  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.443   0.024   0.022  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        0.498   0.449  -0.921  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.853   0.110  -0.782  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.867   0.359  -0.083  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1        3.374   1.347  -0.898  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1        2.830   1.948  -1.497  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        4.736   1.401  -0.745  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        5.019   0.415   0.194  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1        6.357   0.206   0.583  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        7.356   1.010   0.002  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        7.034   1.994  -0.937  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        5.710   2.211  -1.332  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        3.851  -0.210   0.593  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1        6.739  -0.826   1.574  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        7.907  -0.993   1.908  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        5.740  -1.591   2.103  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        4.772  -1.459   1.817  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.972  -2.309   2.772  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  N   LIG    1       -3.675   0.045   0.069  0.00  0.00    -0.293 NA
ATOM     23  C   LIG    1       -2.764  -1.056   0.466  0.00  0.00    +0.087 C 
ATOM     24  C   LIG    1       -3.039  -2.384  -0.280  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.447  -2.166  -1.731  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -4.602  -1.172  -1.851  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -4.911  -0.436  -0.544  0.00  0.00    +0.085 C 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.183   2.417   0.515  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -3.848   1.054   1.133  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -4.886   0.690   2.203  0.00  0.00    +0.024 C 
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 4