REMARK  Name = BDB065120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603  -0.954  -0.050  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -0.315  -0.324  -1.447  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1        0.301   1.064  -1.329  0.00  0.00    +0.036 C 
ATOM      4  C   LIG    1        1.663   1.102  -0.621  0.00  0.00    -0.005 C 
ATOM      5  C   LIG    1        2.069   2.589  -0.612  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1        1.672   0.390   0.779  0.00  0.00    -0.026 C 
ATOM      7  C   LIG    1        1.192   1.363   1.882  0.00  0.00    +0.012 C 
ATOM      8  C   LIG    1       -1.049  -2.466  -0.205  0.00  0.00    +0.104 C 
ATOM      9  O   LIG    1       -2.463  -2.697  -0.005  0.00  0.00    -0.367 OA
ATOM     10  C   LIG    1       -1.974  -2.953  -1.318  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1       -0.239  -3.503   0.537  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -0.027  -3.058   1.974  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1        0.693  -1.711   2.067  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        0.800  -0.961   0.711  0.00  0.00    +0.010 C 
ENDROOT
BRANCH   2  15
ATOM     15  O   LIG    1       -1.477  -0.184  -2.261  0.00  0.00    -0.391 OA
ATOM     16  H   LIG    1       -1.212   0.215  -3.108  0.00  0.00    +0.210 HD
ENDBRANCH   2  15
BRANCH   1  17
ATOM     17  C   LIG    1       -1.674  -0.177   0.775  0.00  0.00    +0.245 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.893   0.018   0.045  0.00  0.00    -0.461 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.868   0.669   0.722  0.00  0.00    +0.335 C 
ATOM     20  O   LIG    1       -3.760   1.129   1.850  0.00  0.00    -0.245 OA
BRANCH  19  23
ATOM     21  C   LIG    1       -7.428   1.809  -0.278  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1       -6.102   1.532   0.353  0.00  0.00    -0.020 C 
ATOM     23  C   LIG    1       -5.103   0.760  -0.122  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -5.125  -0.026  -1.399  0.00  0.00    +0.051 C 
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   6  25
ATOM     25  C   LIG    1        3.133  -0.084   1.201  0.00  0.00    +0.011 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.368   0.823   1.063  0.00  0.00    +0.035 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.032   0.833  -0.279  0.00  0.00    -0.026 C 
ATOM     28  C   LIG    1        5.408  -0.406  -0.999  0.00  0.00    +0.264 C 
ATOM     29  O   LIG    1        6.054   0.052  -2.186  0.00  0.00    -0.457 OA
ATOM     30  C   LIG    1        6.073   1.411  -2.188  0.00  0.00    +0.332 C 
ATOM     31  O   LIG    1        6.541   2.119  -3.059  0.00  0.00    -0.246 OA
ATOM     32  C   LIG    1        5.437   1.900  -0.967  0.00  0.00    +0.094 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 8