REMARK  Name = BDB024510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.802  -0.983  -1.696  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.159  -0.283  -0.658  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.986   0.466   0.312  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.452  -0.446   1.455  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.287   1.728   0.808  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.972   1.382   1.467  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.148   0.481   0.593  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.752   0.409   0.814  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.000   1.069   1.752  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.248   0.699   1.557  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1        1.329  -0.216   0.522  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.051  -0.410   0.035  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -0.483  -1.202  -0.979  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.870  -1.140  -1.185  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.726  -0.319  -0.429  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -4.269  -1.596  -2.614  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.548  -0.845   0.020  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        2.882  -0.424  -1.416  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1        4.264  -0.927  -1.846  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        4.597  -2.344  -1.347  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        3.360  -3.111  -0.876  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        2.565  -2.374   0.208  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.631  -2.309  -0.239  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        5.726  -1.468   0.640  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.464  -3.365  -0.276  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        7.066  -3.235   0.487  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1       -6.876  -1.602  -2.629  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1       -6.167  -0.913  -1.598  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1        2.399   1.205   2.372  0.00  0.00    +0.099 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.261   2.229   1.645  0.00  0.00    +0.174 C 
BRANCH  30  31
ATOM     31  N   LIG    1        2.541   3.430   1.281  0.00  0.00    -0.183 N 
ATOM     32  N   LIG    1        2.246   3.699  -0.010  0.00  0.00    -0.161 NA
ATOM     33  C   LIG    1        1.612   4.870   0.106  0.00  0.00    +0.156 A 
ATOM     34  C   LIG    1        1.621   5.284   1.444  0.00  0.00    +0.156 A 
ATOM     35  N   LIG    1        2.258   4.381   2.196  0.00  0.00    -0.161 NA
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7