REMARK  Name = BDB065134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.650   0.516   2.810  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -2.061  -0.262   1.616  0.00  0.00    -0.005 C 
ATOM      3  C   LIG    1       -2.281   0.390   0.193  0.00  0.00    -0.025 C 
ATOM      4  C   LIG    1       -2.141   1.926   0.253  0.00  0.00    +0.012 C 
ATOM      5  C   LIG    1       -1.270  -0.251  -0.869  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1        0.221  -0.417  -0.417  0.00  0.00    +0.092 C 
ATOM      7  C   LIG    1        0.919  -1.266  -1.496  0.00  0.00    +0.145 C 
ATOM      8  C   LIG    1        0.842  -0.766  -2.921  0.00  0.00    +0.075 C 
ATOM      9  C   LIG    1       -0.602  -0.512  -3.313  0.00  0.00    +0.008 C 
ATOM     10  O   LIG    1        1.570  -2.277  -1.219  0.00  0.00    -0.297 OA
ATOM     11  C   LIG    1        0.214  -1.221   0.901  0.00  0.00    +0.132 C 
ATOM     12  C   LIG    1       -1.346   0.356  -2.296  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -0.587  -0.515   1.983  0.00  0.00    +0.036 C 
ENDROOT
BRANCH  11  14
ATOM     14  O   LIG    1        1.526  -1.435   1.420  0.00  0.00    -0.391 OA
ATOM     15  H   LIG    1        2.001  -1.957   0.740  0.00  0.00    +0.210 HD
ENDBRANCH  11  14
BRANCH   3  16
ATOM     16  C   LIG    1       -3.735   0.062  -0.352  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.953   0.345   0.534  0.00  0.00    +0.035 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.241   0.165  -0.208  0.00  0.00    -0.026 C 
ATOM     19  C   LIG    1       -6.714  -1.158  -0.671  0.00  0.00    +0.264 C 
ATOM     20  O   LIG    1       -7.968  -0.884  -1.296  0.00  0.00    -0.457 OA
ATOM     21  C   LIG    1       -8.225   0.450  -1.219  0.00  0.00    +0.332 C 
ATOM     22  O   LIG    1       -9.209   1.015  -1.658  0.00  0.00    -0.246 OA
ATOM     23  C   LIG    1       -7.125   1.111  -0.520  0.00  0.00    +0.094 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
BRANCH   6  24
ATOM     24  C   LIG    1        1.023   0.903  -0.306  0.00  0.00    +0.249 C 
BRANCH  24  25
ATOM     25  O   LIG    1        2.431   0.636  -0.191  0.00  0.00    -0.460 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.204   1.732  -0.002  0.00  0.00    +0.332 C 
ATOM     27  O   LIG    1        2.812   2.889   0.013  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  C   LIG    1        4.627   1.379   0.173  0.00  0.00    +0.092 C 
ATOM     29  C   LIG    1        5.094   0.120   0.193  0.00  0.00    +0.015 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.508  -0.225   0.389  0.00  0.00    -0.025 A 
ATOM     31  C   LIG    1        7.550   0.530  -0.171  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        8.881   0.148   0.017  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        9.171  -0.993   0.754  0.00  0.00    +0.123 A 
ATOM     34  F   LIG    1       10.447  -1.358   0.931  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        8.155  -1.763   1.304  0.00  0.00    +0.039 A 
ATOM     36  C   LIG    1        6.824  -1.383   1.117  0.00  0.00    +0.011 A 
ENDBRANCH  29  30
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 9