REMARK  Name = BDB026504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.483   1.614   1.680  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1        1.948   1.192   0.631  0.00  0.00    +0.331 A 
ATOM      3  N   LIG    1        1.213   0.607  -0.418  0.00  0.00    -0.290 N 
ATOM      4  C   LIG    1        2.106   0.173  -1.408  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        3.399   0.511  -0.995  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        4.507   0.210  -1.759  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        4.290  -0.452  -2.972  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.988  -0.794  -3.388  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        1.875  -0.481  -2.601  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.300   1.149   0.250  0.00  0.00    -0.288 N 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -0.224   0.413  -0.411  0.00  0.00    +0.159 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -0.658  -0.628   0.638  0.00  0.00    +0.148 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -0.721  -0.070   1.958  0.00  0.00    -0.389 OA
ATOM     14  H   LIG    1        0.028   0.556   2.055  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
BRANCH  12  15
ATOM     15  C   LIG    1       -2.017  -1.283   0.287  0.00  0.00    +0.117 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.081  -0.372  -0.191  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1       -4.214  -1.174  -0.702  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1       -5.424  -0.351  -1.089  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -5.616   0.937  -0.563  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -6.761   1.668  -0.906  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -7.724   1.112  -1.747  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -7.548  -0.172  -2.256  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.559   1.552   0.318  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -6.405  -0.902  -1.926  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.569   0.519   0.877  0.00  0.00    +0.089 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   3  11
BRANCH  10  26
ATOM     26  C   LIG    1        4.397   1.582   1.075  0.00  0.00    +0.162 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.032   0.449   1.851  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1        6.338   0.026   1.561  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        6.918  -1.026   2.276  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.197  -1.658   3.286  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        6.913  -2.953   4.164  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        4.902  -1.248   3.590  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        4.322  -0.197   2.876  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 7