REMARK  Name = BDB049881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.144  -2.134   0.436  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.599  -2.709   1.130  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.887  -1.183  -0.244  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        1.367  -0.260  -0.862  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.379  -1.288  -0.121  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        4.190  -0.138  -0.263  0.00  0.00    +0.061 A 
ATOM      7  N   LIG    1        3.683   1.088  -0.742  0.00  0.00    -0.331 N 
ATOM      8  H   LIG    1        2.659   1.136  -0.689  0.00  0.00    +0.147 HD
ATOM      9  C   LIG    1        4.402   2.285  -0.296  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1        5.932   2.121  -0.394  0.00  0.00    +0.237 C 
ATOM     11  N   LIG    1        6.416   0.851  -0.186  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1        7.421   0.753  -0.165  0.00  0.00    +0.155 HD
ATOM     13  O   LIG    1        6.714   3.059  -0.547  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1        3.932   3.482  -1.112  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        5.582  -0.270  -0.061  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        6.160  -1.504   0.241  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        5.356  -2.635   0.345  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        3.976  -2.530   0.165  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1       -0.309  -2.064   0.484  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.789  -1.049   1.514  0.00  0.00    +0.038 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.305  -1.036   1.727  0.00  0.00    +0.107 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -3.396   1.516   0.589  0.00  0.00    +0.141 A 
ATOM     23  C   LIG    1       -3.849   0.216   0.262  0.00  0.00    +0.075 A 
ATOM     24  N   LIG    1       -3.081  -0.958   0.468  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1       -3.728  -2.234   0.110  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1       -4.533  -2.121  -1.167  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -5.660  -1.141  -0.917  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -5.120   0.152  -0.364  0.00  0.00    -0.023 A 
ATOM     29  C   LIG    1       -5.937   1.296  -0.483  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.495   2.536  -0.041  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.216   2.649   0.483  0.00  0.00    +0.047 A 
BRANCH  22  33
ATOM     32  C   LIG    1       -1.288   2.014  -0.138  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -2.107   1.758   1.010  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6