REMARK  Name = BDB021162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.236  -0.152  -0.282  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.753   0.976   0.447  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.480   1.417   0.147  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.256   2.542   0.902  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1       -1.384   2.711   1.684  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1        0.346   0.775  -0.794  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.104  -0.251  -1.463  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.300   1.716   1.392  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1       -1.389  -0.678  -1.194  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.832  -2.162  -0.975  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.567  -1.620  -0.424  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.362  -1.574   0.894  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.140  -1.011   1.029  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -3.625  -0.857   2.371  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.539  -0.726  -0.179  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.460  -1.116  -1.136  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -1.621   3.760   2.668  0.00  0.00    +0.357 C 
ATOM     18  O   LIG    1       -2.617   3.886   3.367  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  OXT LIG    1       -0.605   4.650   2.791  0.00  0.00    -0.476 OA
ATOM     20  HXT LIG    1       -0.947   5.264   3.472  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  21
ATOM     21  N   LIG    1        1.630   1.212  -1.036  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.994   0.712  -1.845  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.620   1.251   0.035  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.910   0.620  -0.404  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.039  -0.750  -0.615  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.029  -1.835  -0.538  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        3.961  -3.046  -0.582  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        5.205  -2.658  -1.209  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.245  -1.299  -1.035  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.365  -0.527  -1.268  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        6.263   0.847  -1.055  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.050   1.404  -0.627  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        4.993   2.729  -0.433  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6