REMARK  Name = BDB027548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.965   2.213   1.444  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.181   1.459   1.608  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.406   0.081   1.176  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.935  -0.051   1.048  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -2.428   0.950   2.099  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.426   2.092   2.001  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.999   3.428   1.618  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.594   0.286   0.222  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.914  -0.151   1.369  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.728   0.467   1.777  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.207   1.525   1.029  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.888   1.985  -0.099  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.073   1.361  -0.504  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.608  -0.161  -1.206  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1        5.781  -0.395  -0.117  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        6.056  -1.143   0.505  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.443   0.680  -2.081  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.731  -0.875  -2.381  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.800  -1.107  -1.204  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.352   0.318  -0.301  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.068   1.237  -0.627  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.689   0.160  -0.612  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.413  -0.801  -0.022  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.703  -0.916  -0.361  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -6.308  -0.067  -1.293  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -7.667  -0.205  -1.633  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -8.417  -1.204  -1.031  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.839  -2.058  -0.103  0.00  0.00    +0.040 A 
ATOM     29  F   LIG    1       -9.710  -1.343  -1.347  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.473   0.895  -1.833  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.487  -1.906   0.223  0.00  0.00    +0.031 A 
ATOM     32  N   LIG    1       -4.175   1.027  -1.506  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5