REMARK  Name = BDB020132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.408   0.779   0.525  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        0.489   2.178   0.454  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.675   2.788   0.044  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        2.780   1.992  -0.284  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.718   0.593  -0.204  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        1.521  -0.007   0.210  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.021   0.721   0.599  0.00  0.00    -0.305 N 
ATOM      8  H   LIG    1       -1.981   1.422  -0.128  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1       -0.843   0.099   0.959  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1       -0.789  -0.959   1.574  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.308   0.072   0.796  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1       -4.318   1.085   1.339  0.00  0.00    +0.033 C 
BRANCH  11  19
ATOM     13  C   LIG    1       -5.620   0.101  -3.746  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -4.837  -0.606  -2.682  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -4.396  -1.914  -2.887  0.00  0.00    +0.126 A 
ATOM     16  F   LIG    1       -4.698  -2.550  -4.028  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -3.636  -2.576  -1.930  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -3.304  -1.924  -0.743  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.731  -0.606  -0.500  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -4.484   0.048  -1.491  0.00  0.00    +0.011 A 
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  O   LIG    1        1.899   4.131  -0.076  0.00  0.00    -0.406 OA
BRANCH  21  22
ATOM     22  C   LIG    1        0.829   5.012   0.220  0.00  0.00    +0.575 C 
ATOM     23  F   LIG    1        1.238   6.282   0.010  0.00  0.00    -0.133 F 
ATOM     24  F   LIG    1       -0.232   4.772  -0.582  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1        0.450   4.898   1.510  0.00  0.00    -0.133 F 
ENDBRANCH  21  22
ENDBRANCH   3  21
BRANCH   5  26
ATOM     26  C   LIG    1        3.925  -0.258  -0.541  0.00  0.00    +0.160 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.500  -0.850   0.647  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1        4.273  -2.173   1.032  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1        3.605  -3.056   0.381  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1        3.604  -3.929   0.909  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1        4.925  -2.291   2.265  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1        4.836  -3.435   3.137  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1        5.477  -1.064   2.615  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1        5.225  -0.191   1.630  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7