REMARK  Name = BDB022858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.701  -3.028   2.394  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.195  -3.000   0.946  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.531  -1.728   0.285  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.803  -1.619  -0.284  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.543  -2.601  -0.383  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.251  -0.547   0.685  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.669  -0.824   1.127  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.148  -2.115   1.223  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.458  -2.231   1.625  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.239  -1.180   1.933  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.687   0.037   1.833  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.427   0.252   1.437  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        1.311  -3.294   0.848  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.217  -0.267  -0.871  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.762  -0.114  -0.920  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.215   0.796  -2.095  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -3.206   1.816  -2.412  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -3.722   2.810  -3.349  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -1.957   1.222  -2.905  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.639  -0.142  -2.284  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.280   0.340   0.443  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.212   1.679   0.856  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.667   2.058   2.120  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.188   1.104   2.991  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.252  -0.231   2.600  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.798  -0.612   1.336  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.418   1.170   2.151  0.00  0.00    -0.308 N 
ATOM     28  H   LIG    1        3.933   1.947   1.709  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.823   1.118   1.778  0.00  0.00    +0.160 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.016   1.267   0.279  0.00  0.00    +0.058 A 
ATOM     31  N   LIG    1        5.767   2.490  -0.261  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1        5.912   2.618  -1.598  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        6.290   1.583  -2.435  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.531   0.336  -1.871  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        6.390   0.171  -0.496  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5