REMARK  Name = BDB061847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.211   0.114  -1.272  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -1.817  -1.076  -0.812  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -2.818  -0.997   0.178  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -3.227   0.233   0.720  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -2.573   1.393   0.292  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.586   1.336  -0.693  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.412  -2.429  -1.355  0.00  0.00    +0.418 C 
ATOM      8  F   LIG    1       -1.736  -2.582  -2.669  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -0.065  -2.641  -1.278  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.982  -3.481  -0.705  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.125   0.115  -2.326  0.00  0.00    +0.140 C 
BRANCH  11  13
ATOM     12  C   LIG    1        1.997   0.758  -1.259  0.00  0.00    +0.244 C 
ATOM     13  N   LIG    1        1.155  -0.219  -1.748  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        1.292  -1.179  -1.455  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        1.762   1.958  -1.350  0.00  0.00    -0.270 OA
BRANCH  12  21
ATOM     16  C   LIG    1        7.495  -1.835   1.605  0.00  0.00    +0.149 C 
ATOM     17  N   LIG    1        6.601  -0.698   1.620  0.00  0.00    -0.350 N 
ATOM     18  C   LIG    1        5.503  -0.543   0.799  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        4.921   0.684   1.131  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.769   1.104   0.439  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.221   0.281  -0.558  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        3.831  -0.935  -0.882  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        5.703   1.254   2.172  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        4.979  -1.369  -0.208  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        6.729   0.381   2.453  0.00  0.00    +0.086 A 
ENDBRANCH  12  21
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  26
ATOM     26  C   LIG    1       -4.277   0.307   1.800  0.00  0.00    +0.201 C 
BRANCH  26  27
ATOM     27  S   LIG    1       -5.895  -0.236   1.294  0.00  0.00    -0.024 S 
ATOM     28  O   LIG    1       -6.720  -0.211   2.491  0.00  0.00    -0.174 OA
ATOM     29  O   LIG    1       -5.792  -1.465   0.530  0.00  0.00    -0.174 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -6.711   0.953   0.198  0.00  0.00    +0.131 C 
ATOM     31  C   LIG    1       -6.092   2.304   0.008  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1       -5.989   1.268  -1.081  0.00  0.00    +0.028 C 
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7