REMARK  Name = BDB021414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.741  -2.047  -0.091  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.242  -1.030  -0.575  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.621  -0.346  -1.616  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.984   1.001  -2.018  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -1.927   1.935  -0.825  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -3.263   1.998  -0.107  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1       -4.021   0.720   0.165  0.00  0.00    -0.032 A 
ATOM      8  C   LIG    1       -5.321   0.911   0.710  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -6.157  -0.158   1.036  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -5.696  -1.451   0.825  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.423  -1.665   0.297  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -3.571  -0.595  -0.046  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -0.341  -0.878  -2.109  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.863  -0.444  -1.250  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        1.154   0.937  -1.512  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        1.901   1.160  -0.930  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        2.094  -1.323  -1.577  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.339  -1.001  -0.875  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.261  -0.936   0.579  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.632  -0.798   1.201  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.547   0.086   0.605  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        6.803   0.290   1.184  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.152  -0.399   2.346  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.247  -1.281   2.937  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.099   0.831  -0.623  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        4.986  -1.476   2.372  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.218  -0.038  -1.541  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       -7.415  -0.082   1.558  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -7.960   1.204   1.798  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1       -8.051   1.915   0.653  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -7.217   1.888   2.694  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       -9.204   1.061   2.304  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7