REMARK  Name = BDB012549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.805   1.160  -1.517  0.00  0.00    +0.148 C 
ATOM      2  N   LIG    1       -2.664   1.974  -1.174  0.00  0.00    -0.351 N 
ATOM      3  C   LIG    1       -1.413   1.546  -0.886  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.714   0.246  -0.797  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1        0.663   0.724  -0.422  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.706   2.148  -0.282  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        1.638   2.878   0.011  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.619   2.611  -0.592  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -1.390   3.772  -0.702  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -2.663   3.352  -1.067  0.00  0.00    +0.086 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.769  -0.123  -0.287  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.960   0.284   0.195  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.050  -0.563   0.342  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        5.281  -0.009   0.889  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.000  -1.918   0.010  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        4.944  -2.692   0.148  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        2.691  -2.378  -0.546  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        2.538  -4.026  -1.027  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        1.668  -1.522  -0.679  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -1.352  -0.684   0.220  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.290  -0.428   1.600  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -1.895  -1.294   2.513  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.574  -2.422   2.061  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.654  -2.687   0.696  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.051  -1.822  -0.219  0.00  0.00    +0.006 A 
ENDBRANCH   4  20
TORSDOF 2