REMARK  Name = BDB018517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.977  -1.212   0.593  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.564  -1.476   0.941  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.246  -2.688   1.439  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.184  -3.682   1.653  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.740  -4.949   2.212  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.532  -3.493   1.385  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.416  -4.321   1.582  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.895  -2.174   0.814  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -3.852   3.666  -1.753  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1       -3.370   2.421  -1.177  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.592   1.567  -1.955  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -2.271   1.772  -3.122  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.135   0.318  -1.290  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -2.461   0.038  -0.014  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.289   0.992   0.710  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.705   2.122   0.129  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        0.450  -0.477   0.771  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.644  -0.632   0.103  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.316   0.573   0.173  0.00  0.00    -0.236 N 
ATOM     20  N   LIG    1        1.595   1.486   0.885  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.478   0.848   1.232  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.580   0.928  -0.371  0.00  0.00    +0.100 A 
ATOM     23  C   LIG    1        4.366   0.021  -1.085  0.00  0.00    +0.149 A 
ATOM     24  F   LIG    1        3.984  -1.245  -1.295  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.603   0.405  -1.608  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.071   1.704  -1.423  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.300   2.620  -0.712  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.061   2.237  -0.188  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 3