REMARK  Name = BDB028741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.034  -2.794   2.247  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1        0.581  -1.501   1.712  0.00  0.00    +0.088 C 
ATOM      3  N   LIG    1       -0.434  -0.497   1.282  0.00  0.00    -0.317 N 
ATOM      4  C   LIG    1        0.207   0.768   0.818  0.00  0.00    +0.121 C 
ATOM      5  C   LIG    1        1.235   0.504  -0.317  0.00  0.00    +0.135 C 
ATOM      6  N   LIG    1        2.207  -0.562   0.012  0.00  0.00    -0.297 N 
ATOM      7  C   LIG    1        3.438  -0.687  -0.626  0.00  0.00    +0.226 C 
ATOM      8  O   LIG    1        4.108  -1.721  -0.555  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.645  -1.779   0.627  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -1.556  -0.940   0.581  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -1.517  -1.538  -0.683  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.693  -1.943  -1.327  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -3.925  -1.751  -0.709  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -5.367  -2.246  -1.503  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -3.991  -1.161   0.547  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -2.813  -0.761   1.183  0.00  0.00    +0.024 A 
ENDBRANCH   3  10
BRANCH   4  17
ATOM     17  C   LIG    1       -0.793   1.889   0.562  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -1.294   2.615   1.660  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -2.225   3.641   1.480  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.674   3.948   0.200  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -3.824   5.208  -0.024  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -2.203   3.236  -0.899  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.270   2.210  -0.720  0.00  0.00    +0.007 A 
ENDBRANCH   4  17
BRANCH   7  24
ATOM     24  C   LIG    1        3.949   0.500  -1.401  0.00  0.00    +0.216 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.300   0.382  -2.054  0.00  0.00    +0.314 C 
ATOM     26  O   LIG    1        5.774   1.310  -2.701  0.00  0.00    -0.250 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.970  -0.777  -1.908  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1        5.492  -1.455  -1.370  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 5