REMARK  Name = BDB045956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.040  -0.992  -1.448  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.889  -0.783  -0.628  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1        2.875  -2.182  -1.784  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1        2.690  -1.363  -0.664  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.412  -0.922  -0.316  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.300  -1.280  -1.081  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        0.479  -2.091  -2.201  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.758  -2.538  -2.551  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1        4.257  -2.676  -2.154  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.828  -3.643  -1.098  0.00  0.00    +0.230 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.615  -4.739  -1.838  0.00  0.00    +0.334 C 
ATOM     12  O   LIG    1        6.833  -4.825  -1.890  0.00  0.00    -0.248 OA
BRANCH  11  13
ATOM     13  O   LIG    1        4.812  -5.655  -2.441  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1        3.856  -5.506  -2.309  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  O   LIG    1        5.593  -2.868  -0.173  0.00  0.00    -0.365 OA
BRANCH  15  17
ATOM     16  C   LIG    1        6.756  -2.667   1.898  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1        5.986  -3.601   0.985  0.00  0.00    +0.157 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -3.246  -0.291  -0.812  0.00  0.00    +0.069 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.147   1.214  -0.907  0.00  0.00    -0.014 C 
ATOM     20  C   LIG    1       -3.124   2.126   0.093  0.00  0.00    -0.011 C 
ATOM     21  C   LIG    1       -3.239   1.687   1.499  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -4.390   2.023   2.219  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1       -4.580   1.578   3.525  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.580   0.831   4.147  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.403   0.529   3.458  0.00  0.00    +0.001 A 
ATOM     26  O   LIG    1       -5.375   2.773   1.629  0.00  0.00    -0.487 OA
ATOM     27  C   LIG    1       -4.945   4.136   1.511  0.00  0.00    +0.265 C 
ATOM     28  C   LIG    1       -4.018   4.485   0.356  0.00  0.00    -0.003 A 
ATOM     29  C   LIG    1       -3.980   5.842  -0.036  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.109   6.287  -1.029  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.244   5.389  -1.639  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -2.260   4.046  -1.261  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -2.232   0.956   2.139  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -3.152   3.570  -0.278  0.00  0.00    -0.011 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10