REMARK  Name = BDB065139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.693  -1.041   0.473  0.00  0.00    +0.124 C 
ATOM      2  C   LIG    1        0.156  -1.247   1.891  0.00  0.00    +0.150 C 
ATOM      3  O   LIG    1        0.678  -0.753   2.890  0.00  0.00    -0.296 OA
ATOM      4  C   LIG    1       -1.081  -2.095   2.021  0.00  0.00    +0.079 C 
ATOM      5  C   LIG    1       -2.274  -1.468   1.275  0.00  0.00    -0.001 C 
ATOM      6  C   LIG    1       -3.192  -0.737   2.265  0.00  0.00    +0.008 C 
ATOM      7  C   LIG    1       -1.881  -0.607  -0.010  0.00  0.00    -0.025 C 
ATOM      8  C   LIG    1       -1.772   0.893   0.329  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -0.506  -1.182  -0.531  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -0.065  -0.805  -1.961  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1        1.359  -1.278  -2.299  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        1.865  -2.411  -1.414  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1        1.652  -2.163   0.073  0.00  0.00    +0.150 C 
ATOM     14  O   LIG    1        2.180  -2.910   0.897  0.00  0.00    -0.296 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        1.428   0.321   0.448  0.00  0.00    +0.254 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.793   0.160   0.866  0.00  0.00    -0.460 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.533   1.297   0.864  0.00  0.00    +0.335 C 
ATOM     18  O   LIG    1        3.145   2.383   0.460  0.00  0.00    -0.245 OA
BRANCH  17  21
ATOM     19  C   LIG    1        7.253   1.977   1.671  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1        5.821   1.990   1.242  0.00  0.00    -0.020 C 
ATOM     21  C   LIG    1        4.901   1.017   1.401  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1        5.117  -0.299   2.088  0.00  0.00    +0.051 C 
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   7  23
ATOM     23  C   LIG    1       -3.031  -0.845  -1.065  0.00  0.00    +0.011 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.216   0.178  -2.205  0.00  0.00    +0.035 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.212   1.280  -2.002  0.00  0.00    -0.026 C 
ATOM     26  C   LIG    1       -4.317   2.368  -3.006  0.00  0.00    +0.264 C 
ATOM     27  O   LIG    1       -5.349   3.218  -2.510  0.00  0.00    -0.457 OA
ATOM     28  C   LIG    1       -5.822   2.709  -1.342  0.00  0.00    +0.332 C 
ATOM     29  O   LIG    1       -6.707   3.187  -0.658  0.00  0.00    -0.246 OA
ATOM     30  C   LIG    1       -5.098   1.479  -1.027  0.00  0.00    +0.094 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 7