REMARK  Name = BDB049291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.660  -0.959  -0.058  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.328  -0.512   0.048  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.743  -1.384  -0.245  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.447  -2.677  -0.657  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -1.658  -3.264  -0.889  0.00  0.00    -0.276 N 
ATOM      6  H   LIG    1       -1.833  -4.212  -1.203  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1       -2.712  -2.463  -0.680  0.00  0.00    -0.173 NA
ATOM      8  C   LIG    1        0.856  -3.166  -0.775  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -2.173  -1.306  -0.257  0.00  0.00    +0.100 A 
ATOM     10  C   LIG    1        1.898  -2.282  -0.465  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.911   1.676   0.840  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        3.926   1.450   1.792  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.865   0.590   1.498  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.779  -0.054   0.252  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        3.792   0.194  -0.691  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.855   1.055  -0.402  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        5.928   2.522   1.167  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        6.530   2.591   0.408  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1       -3.027  -0.174   0.105  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -2.733   0.629   1.215  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -3.556   1.709   1.546  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.679   1.982   0.773  0.00  0.00    +0.117 A 
ATOM     23  C   LIG    1       -4.998   1.191  -0.325  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.173   0.112  -0.654  0.00  0.00    +0.013 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -5.454   3.044   1.133  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -6.204   3.100   0.518  0.00  0.00    +0.292 HD
ENDBRANCH  22  25
ENDBRANCH   9  19
TORSDOF 4