REMARK  Name = BDB052364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.910   1.444   0.563  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -2.075   0.183   1.466  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -3.611   0.441   1.455  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -3.409   1.288   0.163  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.508  -1.238   0.987  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -1.690  -1.760  -0.310  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.165  -2.998  -0.697  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.442  -3.762   0.209  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.246  -3.289   1.500  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.773  -2.050   1.877  0.00  0.00    +0.004 A 
ENDBRANCH   2   5
BRANCH   4  11
ATOM     11  C   LIG    1       -4.278   2.612  -0.029  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -4.421   3.590   0.977  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.187   4.745   0.787  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.835   4.959  -0.424  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.715   4.020  -1.441  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.948   2.869  -1.242  0.00  0.00    +0.004 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  C   LIG    1       -0.858   1.404  -0.567  0.00  0.00    +0.311 C 
ATOM     18  O   LIG    1       -1.098   1.415  -1.772  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        0.407   1.339  -0.054  0.00  0.00    -0.464 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.441   1.160  -1.030  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.749   0.824  -0.317  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.655  -0.493   0.462  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.939  -0.852   1.215  0.00  0.00    +0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.188  -1.049   0.348  0.00  0.00    -0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.029  -2.151  -0.702  0.00  0.00    -0.000 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.875  -1.348  -2.268  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.336  -2.491  -1.422  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  28
ATOM     28  C   LIG    1       -4.553  -0.778   1.442  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -4.853  -1.491   2.393  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.109  -1.050   0.237  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -5.661  -1.841   0.414  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH   3  28
TORSDOF 13