REMARK  Name = BDB047486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.659   1.353   0.249  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.602   1.505   1.153  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.572   2.435   0.922  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.611   3.236  -0.232  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.680   3.101  -1.123  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.692   2.164  -0.887  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.448   4.090  -0.404  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        0.412   4.955  -1.534  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -3.709   0.297   0.480  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.449  -1.005  -0.299  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -1.931  -3.031  -0.646  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -2.177  -1.752   0.145  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -4.693  -1.868  -0.203  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.443  -2.068  -1.148  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.932  -2.390   1.019  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -4.276  -2.162   1.704  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        0.588   2.479   1.887  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.632   1.567   1.466  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        2.115   1.833   0.620  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        1.624   0.244   1.854  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        0.841  -0.224   2.673  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.608  -0.649   1.183  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        3.807  -0.171   0.650  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        4.686  -1.057   0.031  0.00  0.00    +0.136 A 
ATOM     25  F   LIG    1        5.829  -0.575  -0.476  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        4.407  -2.419  -0.063  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1        3.209  -2.899   0.485  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        2.318  -2.019   1.107  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.391  -3.325  -0.742  0.00  0.00    +0.420 C 
ATOM     30  F   LIG    1        5.037  -4.640  -0.674  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        6.640  -3.254  -0.206  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.527  -3.052  -2.070  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 10