REMARK  Name = BDB015774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.986  -0.848  -0.576  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.262   0.289   0.077  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.237   1.143   0.241  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.032   0.871  -0.232  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.222  -0.337  -0.875  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.214  -1.200  -1.057  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.573   2.418   0.917  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.239   2.915   1.871  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.045   4.096   2.542  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.886   4.558   3.560  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.195   4.841   2.290  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.499   5.886   2.857  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.102   4.291   1.250  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.794   3.151   0.619  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.497  -0.615  -1.393  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        3.208  -0.481  -0.680  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.622  -1.912  -2.048  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.042  -2.091  -2.510  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1        4.527  -1.382  -3.604  0.00  0.00    +0.115 A 
ATOM     20  N   LIG    1        5.792  -1.483  -4.075  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        6.616  -2.329  -3.422  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        6.237  -3.075  -2.319  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.929  -2.950  -1.856  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -2.000  -1.772  -0.812  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -2.433  -3.199   1.609  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.450  -2.258   1.029  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1       -3.191  -1.546  -0.157  0.00  0.00    +0.152 A 
ATOM     28  C   LIG    1       -4.156  -0.683  -0.700  0.00  0.00    +0.094 A 
ATOM     29  C   LIG    1       -5.370  -0.498  -0.027  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -5.622  -1.176   1.165  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.669  -2.050   1.689  0.00  0.00    +0.007 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -3.926   0.020  -1.928  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -3.761   0.604  -2.917  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 7