REMARK  Name = BDB014714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.024   1.539   0.005  0.00  0.00    +0.121 C 
ATOM      2  N   LIG    1        1.022   2.837  -0.005  0.00  0.00    -0.285 NA
ATOM      3  H   LIG    1        1.958   3.226   0.121  0.00  0.00    +0.188 HD
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1        2.433  -0.247   1.000  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1        3.738  -1.023   1.047  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1        4.921  -0.273   0.438  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.561   0.358  -0.825  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        5.450   0.525  -1.881  0.00  0.00    +0.213 C 
ATOM      9  O   LIG    1        5.255   1.335  -2.787  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1        6.682  -0.343  -1.893  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        3.426   1.276  -0.778  0.00  0.00    +0.147 C 
ATOM     12  C   LIG    1        2.340   0.807   0.154  0.00  0.00    +0.026 C 
BRANCH   4  14
ATOM     13  C   LIG    1        1.504  -1.648   2.902  0.00  0.00    +0.125 C 
ATOM     14  N   LIG    1        1.394  -0.680   1.827  0.00  0.00    -0.350 N 
ATOM     15  H   LIG    1        0.719   0.062   2.035  0.00  0.00    +0.145 HD
ENDBRANCH   4  14
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  N   LIG    1       -0.122   0.777  -0.100  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1        0.033  -0.224  -0.011  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.470   1.152  -0.241  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1       -2.449   0.147  -0.208  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.795   0.481  -0.336  0.00  0.00    +0.076 A 
ATOM     21  N   LIG    1       -4.213   1.758  -0.494  0.00  0.00    -0.255 NA
ATOM     22  C   LIG    1       -3.263   2.713  -0.529  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -1.906   2.462  -0.408  0.00  0.00    +0.043 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.835  -0.535  -0.301  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -6.187  -0.279  -0.417  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1       -6.820  -1.482  -0.336  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1       -8.240  -1.722  -0.409  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1       -5.979  -2.520  -0.172  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -4.774  -1.941  -0.154  0.00  0.00    +0.144 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5