REMARK  Name = BDB049556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.513  -1.182   1.269  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1        0.486  -2.418   2.108  0.00  0.00    +0.141 C 
ATOM      3  N   LIG    1        1.868  -2.751   2.168  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        2.276  -3.531   2.666  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1        2.659  -1.840   1.513  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1        3.873  -1.895   1.451  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.762  -0.811   0.922  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1        2.216   0.307   0.170  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.132   0.318  -0.927  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        3.231   1.642  -1.364  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        4.035   2.028  -2.443  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        4.761   1.032  -3.101  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        4.686  -0.297  -2.692  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        2.425   2.402  -0.548  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1        2.309   3.403  -0.629  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        3.876  -0.666  -1.611  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        1.802   1.608   0.377  0.00  0.00    +0.092 A 
ENDBRANCH   7   8
BRANCH   1  22
ATOM     18  C   LIG    1       -2.917   0.392   1.525  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1       -3.158   0.699   0.176  0.00  0.00    +0.204 A 
ATOM     20  C   LIG    1       -2.198   0.433  -0.813  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1       -1.008  -0.197  -0.443  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -0.749  -0.522   0.899  0.00  0.00    -0.012 A 
ATOM     23  C   LIG    1       -1.713  -0.228   1.875  0.00  0.00    +0.058 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -3.608   0.649   3.795  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.914   0.718   2.409  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1       -4.321   1.352  -0.168  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1       -5.321   0.400  -0.525  0.00  0.00    +0.277 C 
ENDBRANCH  19  26
BRANCH  20  28
ATOM     28  O   LIG    1       -2.518   0.797  -2.096  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -1.453   0.837  -3.038  0.00  0.00    +0.277 C 
ENDBRANCH  20  28
ENDBRANCH   1  22
TORSDOF 5