REMARK  Name = BDB065138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.591  -3.079  -0.091  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        0.192  -1.791   0.647  0.00  0.00    -0.005 C 
ATOM      3  C   LIG    1        0.344  -0.458  -0.195  0.00  0.00    -0.026 C 
ATOM      4  C   LIG    1        0.276  -0.694  -1.721  0.00  0.00    +0.012 C 
ATOM      5  C   LIG    1       -0.795   0.535   0.266  0.00  0.00    +0.006 C 
ATOM      6  C   LIG    1       -2.256   0.008   0.049  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -3.211   0.843   0.951  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -2.722   2.280   1.236  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -1.863   2.873   0.126  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -4.503   0.840   0.150  0.00  0.00    +0.164 C 
ATOM     11  O   LIG    1       -4.114   0.938  -1.214  0.00  0.00    -0.379 OA
ATOM     12  C   LIG    1       -2.844   0.279  -1.362  0.00  0.00    +0.169 C 
ATOM     13  C   LIG    1       -2.365  -1.505   0.437  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -0.638   2.007  -0.187  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -1.199  -1.962   1.313  0.00  0.00    +0.035 C 
ENDROOT
BRANCH  13  16
ATOM     16  O   LIG    1       -2.416  -2.361  -0.699  0.00  0.00    -0.391 OA
ATOM     17  H   LIG    1       -2.592  -3.266  -0.385  0.00  0.00    +0.210 HD
ENDBRANCH  13  16
BRANCH   3  18
ATOM     18  C   LIG    1        1.735   0.209   0.125  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.993  -0.650  -0.080  0.00  0.00    +0.035 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.248   0.130   0.153  0.00  0.00    -0.026 C 
ATOM     21  C   LIG    1        4.636   0.630   1.491  0.00  0.00    +0.264 C 
ATOM     22  O   LIG    1        5.890   1.277   1.274  0.00  0.00    -0.457 OA
ATOM     23  C   LIG    1        6.220   1.185  -0.042  0.00  0.00    +0.332 C 
ATOM     24  O   LIG    1        7.224   1.636  -0.561  0.00  0.00    -0.246 OA
ATOM     25  C   LIG    1        5.173   0.449  -0.749  0.00  0.00    +0.094 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4