REMARK  Name = BDB024565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.329  -0.822   0.013  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.344   0.071   0.473  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.765   1.393   0.984  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.876   2.412  -0.157  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.876   1.874   2.126  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.437   1.972   1.675  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.996   0.712   0.987  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.611   0.438   0.887  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.443   1.181   1.344  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.545   0.534   1.004  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.232  -0.652   0.363  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.154  -0.706   0.255  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.034  -1.617  -0.327  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.406  -1.336  -0.239  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.920  -0.198   0.406  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.160  -1.976  -0.360  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.099  -1.702  -0.164  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -3.229  -2.185   0.751  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -3.948  -3.371   0.111  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -4.466  -3.007  -1.207  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -4.963  -3.802  -1.609  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.402  -2.592  -2.121  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -2.616  -1.401  -1.574  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        7.624  -1.126  -0.428  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        6.580  -0.264   0.026  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.908   1.081   1.310  0.00  0.00    +0.109 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.655   1.634   0.117  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -3.040   2.544  -0.757  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.739   3.068  -1.846  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.064   2.699  -2.067  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.693   1.811  -1.196  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.995   1.287  -0.106  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 4