REMARK  Name = BDB021440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.416   2.155   0.673  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.423   1.149  -0.042  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.729   0.748  -0.715  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.756  -0.340  -1.675  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.347  -0.165  -2.700  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -1.520  -0.856  -2.309  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.134  -0.492  -1.145  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.379  -1.144  -1.020  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -4.223  -0.943   0.078  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -3.803  -0.071   1.078  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.568   0.574   0.970  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.706   0.377  -0.135  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        2.019   1.317  -0.297  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.912   0.318   0.466  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        2.252  -0.158   1.646  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        2.974  -0.400   2.260  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        4.245   0.988   0.875  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        5.049   0.111   1.758  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        5.700  -0.999   1.033  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        6.895  -0.601   0.193  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        7.622   0.569   0.483  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        8.746   0.897  -0.286  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        9.161   0.060  -1.321  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        8.455  -1.108  -1.597  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.158   1.502   1.574  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        7.330  -1.440  -0.842  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        6.088   0.873   2.480  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1       -5.550  -1.663   0.181  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.703  -0.753   0.273  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1       -7.926  -1.465   0.625  0.00  0.00    +0.090 C 
ATOM     31  C   LIG    1       -9.029  -0.476   0.999  0.00  0.00    +0.091 C 
ATOM     32  C   LIG    1       -9.041   0.736   0.084  0.00  0.00    +0.251 C 
ATOM     33  F   LIG    1       -8.518   1.810   0.733  0.00  0.00    -0.206 F 
ATOM     34  F   LIG    1      -10.330   1.068  -0.197  0.00  0.00    -0.206 F 
ATOM     35  C   LIG    1       -8.292   0.518  -1.210  0.00  0.00    +0.091 C 
ATOM     36  C   LIG    1       -6.856   0.079  -0.933  0.00  0.00    +0.090 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7