REMARK  Name = BDB018949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.242  -0.722   1.153  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -1.133  -0.498   0.867  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.157  -1.159   1.571  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.507  -0.906   1.268  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.872   0.032   0.293  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.870   0.747  -0.380  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.841  -2.185   2.626  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.422  -2.022   3.139  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.521   0.467  -0.082  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.528  -1.925   1.955  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.947   0.607  -0.068  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        3.584   0.166  -0.196  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.333  -0.073  -1.546  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        2.094  -0.518  -1.988  0.00  0.00    +0.139 A 
ATOM     15  N   LIG    1        1.104  -0.730  -1.093  0.00  0.00    -0.238 NA
ATOM     16  C   LIG    1        1.304  -0.502   0.225  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1        4.488   0.223  -2.229  0.00  0.00    -0.348 N 
ATOM     18  C   LIG    1        4.651   0.127  -3.663  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1        2.533  -0.050   0.713  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        5.464   0.632  -1.356  0.00  0.00    +0.099 A 
BRANCH  11  24
ATOM     21  C   LIG    1        7.787   1.532   2.208  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        6.973   1.270   1.050  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        7.433   1.081   0.173  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.633   0.963   1.177  0.00  0.00    +0.246 C 
ATOM     25  O   LIG    1        5.063   0.970   2.264  0.00  0.00    -0.270 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -5.282   0.239   0.040  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.904   0.026  -1.172  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -7.224   0.306  -0.974  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -8.283   0.235  -1.952  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -7.511   0.677   0.288  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -6.329   0.620   0.908  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -3.186   1.798  -1.413  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -2.140   2.637  -1.674  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -3.527   1.266  -2.622  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4