REMARK  Name = BDB021480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.869   1.828   1.341  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.019   0.637   1.051  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.964  -0.263   1.170  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        1.101  -1.692   0.964  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        2.268  -2.233   1.766  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        3.451  -2.245   0.988  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.945  -1.056   0.538  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        5.230  -1.228  -0.017  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        5.968  -0.170  -0.550  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        5.415   1.098  -0.523  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.136   1.283   0.017  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.370   0.219   0.551  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -0.401   0.276   1.288  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.225   0.137  -0.009  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -0.582   0.814  -1.097  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -1.306   1.071  -1.702  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -2.640   0.728   0.183  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.402   0.783  -1.087  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -4.647   1.564  -0.919  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.760   0.838  -0.191  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.803  -0.568  -0.155  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.863  -1.215   0.493  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.886  -0.473   1.083  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.856   0.918   1.034  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.681  -1.378  -0.755  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.801   1.572   0.397  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.750  -0.538  -1.642  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  O   LIG    1        7.191  -0.520  -1.042  0.00  0.00    -0.483 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.969   0.463  -1.732  0.00  0.00    +0.342 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.910   1.237  -0.820  0.00  0.00    +0.424 C 
ATOM     31  F   LIG    1        9.723   0.415  -0.121  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1        8.248   2.019   0.058  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1        9.703   2.053  -1.558  0.00  0.00    -0.167 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 8