REMARK  Name = BDB050264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.470  -1.486   1.069  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -3.217  -1.890  -0.248  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.934  -1.776  -0.796  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.888  -1.258  -0.034  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.137  -0.859   1.281  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.415  -0.972   1.832  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.858  -1.589   1.658  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.536  -0.217   1.779  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.790   0.106   3.253  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -4.925   0.194   4.111  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -7.110   0.291   3.517  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -7.600   0.158   2.671  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.831  -0.232   1.129  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.790   1.561  -0.504  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -6.765   0.061  -0.269  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.404  -1.091  -0.445  0.00  0.00    -0.491 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.720  -1.475  -1.785  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.211  -1.197  -2.067  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.481   0.160  -2.595  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.847   0.258  -3.144  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.964   0.128  -2.094  0.00  0.00    +0.052 C 
ATOM     22  C   LIG    1        4.666   0.899  -0.827  0.00  0.00    -0.024 C 
ATOM     23  C   LIG    1        3.428   1.390  -0.618  0.00  0.00    -0.006 C 
ATOM     24  C   LIG    1        2.291   1.215  -1.588  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.780   1.041   0.135  0.00  0.00    +0.067 A 
ATOM     26  N   LIG    1        6.720   0.066   0.090  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        7.759   0.151   0.950  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        7.922   1.177   1.863  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.961   2.178   1.895  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.877   2.114   1.020  0.00  0.00    +0.028 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11