REMARK  Name = BDB015546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.476  -0.491  -0.007  0.00  0.00    +0.079 A 
ATOM      2  N   LIG    1       -1.843   0.709   0.483  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.919   1.677   0.452  0.00  0.00    +0.324 A 
ATOM      4  N   LIG    1        0.337   1.539  -0.013  0.00  0.00    -0.198 NA
ATOM      5  C   LIG    1        0.684   0.329  -0.495  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -0.215  -0.720  -0.532  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -2.856  -5.365   0.567  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -3.133  -3.921   0.292  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.560  -3.546   0.031  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -5.429  -4.414   0.011  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -4.801  -2.189  -0.173  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -6.163  -1.736  -0.410  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -3.788  -1.243  -0.174  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.497  -1.569   0.024  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.187  -2.967   0.284  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   3  16
ATOM     16  O   LIG    1       -1.322   2.887   1.003  0.00  0.00    -0.421 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.528   3.971   0.727  0.00  0.00    +0.167 A 
ATOM     18  C   LIG    1       -0.450   4.510  -0.560  0.00  0.00    +0.168 A 
ATOM     19  F   LIG    1       -1.136   3.954  -1.571  0.00  0.00    -0.202 F 
ATOM     20  C   LIG    1        0.330   5.631  -0.812  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1        1.023   6.216   0.241  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1        1.780   7.296   0.009  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        0.939   5.704   1.534  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        0.152   4.579   1.783  0.00  0.00    +0.052 A 
ENDBRANCH  16  17
ENDBRANCH   3  16
BRANCH   5  25
ATOM     25  C   LIG    1        2.075   0.207  -1.049  0.00  0.00    +0.221 C 
BRANCH  25  26
ATOM     26  S   LIG    1        3.017  -0.912  -0.024  0.00  0.00    -0.023 S 
ATOM     27  O   LIG    1        3.120  -0.367   1.316  0.00  0.00    -0.174 OA
ATOM     28  O   LIG    1        2.480  -2.247  -0.234  0.00  0.00    -0.174 OA
BRANCH  26  29
ATOM     29  C   LIG    1        4.663  -0.889  -0.760  0.00  0.00    +0.125 C 
ATOM     30  C   LIG    1        5.538  -1.962  -0.113  0.00  0.00    +0.031 C 
ATOM     31  C   LIG    1        5.330   0.477  -0.641  0.00  0.00    +0.031 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6