REMARK  Name = BDB020180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.441  -1.770   1.998  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.716  -1.504   1.253  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.881  -2.265   1.457  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.859  -3.291   2.405  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1        2.955  -4.031   2.621  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.718  -3.559   3.154  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.430  -2.794   2.956  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -1.920  -0.424   0.609  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.364  -0.655  -0.204  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -1.686  -0.973   1.843  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.462  -0.857   2.785  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -3.145   0.291   0.339  0.00  0.00    +0.160 C 
BRANCH  12  15
ATOM     13  C   LIG    1       -4.563   1.663  -2.884  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1       -4.411   1.376  -1.532  0.00  0.00    +0.070 A 
ATOM     15  C   LIG    1       -3.301   0.638  -1.124  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1       -2.356   0.187  -1.994  0.00  0.00    -0.258 NA
ATOM     17  C   LIG    1       -2.535   0.479  -3.299  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1       -3.611   1.200  -3.785  0.00  0.00    +0.065 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.498   3.003  -2.555  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -5.593   2.365  -3.446  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  15
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1        3.146  -1.969   0.686  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.687  -0.662   1.008  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        4.364   0.113   0.058  0.00  0.00    +0.204 A 
ATOM     24  N   LIG    1        4.394  -0.081  -1.212  0.00  0.00    -0.268 NA
ATOM     25  H   LIG    1        4.994   0.630  -1.638  0.00  0.00    +0.190 HD
ATOM     26  N   LIG    1        5.011   1.101   0.808  0.00  0.00    -0.320 N 
ATOM     27  C   LIG    1        5.822   2.156   0.262  0.00  0.00    +0.152 C 
ATOM     28  C   LIG    1        4.785   0.880   2.161  0.00  0.00    +0.106 A 
ATOM     29  C   LIG    1        3.995  -0.195   2.283  0.00  0.00    +0.107 A 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6