REMARK  Name = BDB046443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.037  -0.391  -0.892  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.745   0.257  -0.400  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -0.263  -0.750  -0.322  0.00  0.00    -0.492 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -2.479  -1.390   0.132  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -1.515  -0.371   0.081  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.879   0.926   0.443  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.190   1.222   0.840  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.176   0.232   0.877  0.00  0.00    -0.044 A 
ATOM      9  C   LIG    1       -3.791  -1.077   0.534  0.00  0.00    +0.011 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -5.622   0.480   1.300  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -5.951   1.872   1.875  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -6.174   2.927   0.794  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1       -7.140   2.493  -0.160  0.00  0.00    -0.380 OA
ATOM     14  C   LIG    1       -6.726   1.302  -0.828  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1       -6.620   0.156   0.169  0.00  0.00    +0.036 C 
ENDBRANCH   8  10
BRANCH   4  16
ATOM     16  C   LIG    1       -2.144  -2.817  -0.245  0.00  0.00    +0.038 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -3.409  -2.923  -2.458  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -2.065  -3.057  -1.756  0.00  0.00    +0.001 C 
ENDBRANCH  16  18
ENDBRANCH   4  16
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        2.603  -1.398   0.110  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.922  -0.778   1.357  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.138  -0.175   1.512  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        5.134  -0.047   0.539  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        6.347   0.609   0.818  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        6.539   1.126   2.109  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.551   1.003   3.086  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.356   0.356   2.784  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.405   0.747  -0.196  0.00  0.00    +0.200 A 
ATOM     28  C   LIG    1        7.376   0.592  -1.520  0.00  0.00    +0.240 A 
ATOM     29  N   LIG    1        8.608   0.843  -1.983  0.00  0.00    -0.259 N 
ATOM     30  H   LIG    1        8.951   0.822  -2.928  0.00  0.00    +0.175 HD
ATOM     31  C   LIG    1        9.419   1.162  -0.922  0.00  0.00    +0.421 A 
ATOM     32  O   LIG    1       10.604   1.446  -1.005  0.00  0.00    -0.223 OA
ATOM     33  O   LIG    1        8.697   1.119   0.259  0.00  0.00    -0.404 OA
BRANCH  28  34
ATOM     34  O   LIG    1        6.367   0.263  -2.353  0.00  0.00    -0.491 OA
ATOM     35  H   LIG    1        6.723   0.282  -3.255  0.00  0.00    +0.294 HD
ENDBRANCH  28  34
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 11