REMARK  Name = BDB053817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.892   1.809  -0.749  0.00  0.00    -0.280 N 
ATOM      2  H   LIG    1        1.395   2.633  -1.062  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.490   2.059  -0.618  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.980   3.312  -1.005  0.00  0.00    +0.145 A 
ATOM      5  F   LIG    1       -0.126   4.235  -1.477  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1       -2.327   3.631  -0.917  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -3.225   2.681  -0.430  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.801   1.406  -0.021  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -1.421   1.127  -0.133  0.00  0.00    +0.049 A 
BRANCH   8  10
ATOM     10  N   LIG    1       -3.700   0.466   0.456  0.00  0.00    -0.325 N 
ATOM     11  C   LIG    1       -4.992   0.852   1.046  0.00  0.00    +0.133 C 
ATOM     12  C   LIG    1       -5.403  -0.154   2.135  0.00  0.00    +0.178 C 
ATOM     13  O   LIG    1       -5.527  -1.504   1.666  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -4.635  -1.811   0.584  0.00  0.00    +0.178 C 
ATOM     15  C   LIG    1       -3.353  -0.962   0.561  0.00  0.00    +0.133 C 
ENDBRANCH   8  10
ENDBRANCH   1   3
BRANCH   1  19
ATOM     16  C   LIG    1        2.193  -1.256  -0.057  0.00  0.00    +0.219 A 
ATOM     17  N   LIG    1        3.333  -0.538  -0.405  0.00  0.00    -0.181 N 
ATOM     18  N   LIG    1        2.985   0.744  -0.698  0.00  0.00    -0.126 NA
ATOM     19  C   LIG    1        1.660   0.727  -0.538  0.00  0.00    +0.241 A 
ATOM     20  N   LIG    1        1.145  -0.480  -0.163  0.00  0.00    -0.180 NA
BRANCH  17  21
ATOM     21  C   LIG    1        4.677  -1.010  -0.497  0.00  0.00    +0.158 A 
ATOM     22  N   LIG    1        4.927  -2.332  -0.263  0.00  0.00    -0.236 NA
ATOM     23  C   LIG    1        6.210  -2.745  -0.363  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1        7.265  -1.911  -0.691  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.994  -0.570  -0.933  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.684  -0.107  -0.837  0.00  0.00    +0.048 A 
ENDBRANCH  17  21
BRANCH  16  27
ATOM     27  N   LIG    1        2.190  -2.551   0.324  0.00  0.00    -0.327 N 
ATOM     28  H   LIG    1        3.032  -3.101   0.135  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        1.321  -3.063   0.228  0.00  0.00    +0.145 HD
ENDBRANCH  16  27
ENDBRANCH   1  19
TORSDOF 5