REMARK  Name = BDB046576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.564   1.075  -0.938  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.490   1.974  -0.744  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.496   1.692   0.183  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.465   0.504   0.925  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        0.415  -0.401   0.718  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.592  -0.121  -0.211  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.361   2.192  -2.856  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.611   1.416  -1.940  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1       -2.852   0.844  -1.749  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -3.060   0.485  -0.826  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -3.968   1.249  -2.571  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.090   0.238  -2.507  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -5.969   0.148  -1.402  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -6.986  -0.826  -1.414  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -7.127  -1.702  -2.489  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.253  -1.623  -3.567  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.240  -0.664  -3.575  0.00  0.00    +0.006 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -5.831   1.061  -0.204  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -4.609   0.945   0.392  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.741   0.816   0.781  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -5.974   2.376  -0.520  0.00  0.00    -0.166 F 
ENDBRANCH  13  18
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1        2.572   0.193   1.910  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.786  -0.484   1.240  0.00  0.00    +0.132 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.068  -0.111   1.974  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        5.347  -0.618   3.253  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.528  -0.270   3.909  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.439   0.591   3.300  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.168   1.108   2.035  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.989   0.762   1.374  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1        3.614  -2.002   1.139  0.00  0.00    +0.313 C 
ATOM     31  O   LIG    1        2.629  -2.628   1.501  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.679  -2.630   0.579  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        5.429  -2.033   0.389  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9