REMARK  Name = BDB018546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.136   2.241   0.338  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.332   2.121   0.340  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.046   3.180   0.774  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.461   4.363   1.190  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.326   5.449   1.625  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.914   4.552   1.179  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.490   5.585   1.508  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.718   3.389   0.734  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.762  -0.969  -0.633  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1        3.050  -1.000   0.515  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        2.224   0.039   0.791  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        2.062   1.151  -0.025  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.813   1.188  -1.196  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.667   0.125  -1.498  0.00  0.00    +0.044 A 
BRANCH   9  16
ATOM     15  C   LIG    1        4.838  -2.949   0.173  0.00  0.00    +0.130 C 
ATOM     16  N   LIG    1        4.637  -2.030  -0.950  0.00  0.00    -0.321 N 
ATOM     17  C   LIG    1        4.275  -2.695  -2.202  0.00  0.00    +0.130 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -0.999   0.930  -0.103  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.013   0.273   0.560  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.390  -0.802  -0.215  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -1.604  -0.891  -1.323  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.793   0.166  -1.261  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.412  -1.778   0.003  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -4.477  -1.621   0.908  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -5.398  -2.668   1.058  0.00  0.00    +0.143 A 
ATOM     26  F   LIG    1       -6.424  -2.544   1.914  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -5.300  -3.848   0.327  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -4.269  -3.997  -0.590  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.336  -2.970  -0.755  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -4.755  -0.426   1.644  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -4.969   0.554   2.229  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5