REMARK  Name = BDB024571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.474   0.694  -0.008  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.599   0.320   1.027  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.225  -0.197   2.264  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.924   0.925   3.050  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.266  -0.919   3.223  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.244  -1.726   2.452  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.474  -0.766   1.592  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.075  -0.857   1.436  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.208  -1.762   1.988  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.991  -1.451   1.535  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.932  -0.329   0.725  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.395   0.050   0.630  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.064   1.069  -0.053  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.455   1.145   0.097  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.173   0.240   0.889  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.694   0.761   0.126  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.072   0.315   0.076  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.032   0.184  -1.455  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.279   0.794  -2.092  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -3.431   2.256  -1.662  0.00  0.00    -0.004 C 
ATOM     21  C   LIG    1       -4.560   3.010  -2.413  0.00  0.00    +0.089 C 
ATOM     22  N   LIG    1       -3.649   4.159  -2.588  0.00  0.00    -0.315 NA
ATOM     23  H   LIG    1       -3.752   4.868  -1.861  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -2.492   3.268  -2.376  0.00  0.00    +0.089 C 
ATOM     25  C   LIG    1       -3.516   2.384  -0.133  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -2.278   1.772   0.524  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.762   1.231  -2.277  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.869   0.913  -1.210  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.236  -2.226   1.859  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.816  -2.983   0.682  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -2.008  -3.819  -0.105  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.549  -4.516  -1.186  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.904  -4.397  -1.486  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.722  -3.586  -0.701  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.183  -2.888   0.381  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 4