REMARK  Name = BDB002689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.036  -1.758   0.918  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -0.454  -2.953   0.365  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.482  -3.210  -0.629  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.361  -4.364  -1.416  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.710  -5.233  -1.178  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.640  -4.957  -0.176  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        1.425  -2.221  -0.680  0.00  0.00    -0.228 NA
ATOM      8  C   LIG    1       -1.534  -3.810   0.619  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        1.109  -1.347   0.259  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.772  -0.136   0.602  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        2.898   0.213  -0.043  0.00  0.00    +0.011 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.648   1.450   0.216  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1        3.815   1.974   1.505  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.559   3.139   1.708  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.152   3.787   0.627  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.008   3.267  -0.657  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.264   2.102  -0.860  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH   9  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.730  -1.062   1.988  0.00  0.00    +0.219 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -1.423   1.201   2.192  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -1.478   0.174   1.519  0.00  0.00    +0.237 C 
ATOM     21  N   LIG    1       -2.227  -0.004   0.368  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1       -2.148  -0.897  -0.108  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.045   0.945  -0.282  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -3.277   2.238   0.193  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -4.106   3.115  -0.516  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -4.701   2.696  -1.698  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1       -5.495   3.537  -2.374  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -4.484   1.416  -2.187  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -3.656   0.540  -1.480  0.00  0.00    +0.026 A 
ENDBRANCH  21  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5