REMARK  Name = BDB047385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.304  -0.671  -1.404  0.00  0.00    +0.150 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.829  -1.135  -0.114  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.429  -1.148  -0.162  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.220  -1.674   0.963  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.515  -2.122   2.058  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.893  -2.046   1.998  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.565  -1.565   0.936  0.00  0.00    -0.221 NA
BRANCH   2   8
ATOM      8  O   LIG    1       -2.484  -0.628  -1.224  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.913  -0.661  -1.158  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.450   0.601  -0.485  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.977   0.620  -0.464  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -8.030   1.908   0.228  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.510   1.886   0.206  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1       -0.102   0.651  -1.765  0.00  0.00    -0.387 OA
ATOM     15  H   LIG    1       -1.077   0.660  -1.742  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        1.844  -0.695  -1.387  0.00  0.00    +0.036 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.486   0.425  -0.554  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.009   0.266  -0.500  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.655   1.391   0.309  0.00  0.00    +0.001 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.188   1.365   0.306  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.799   0.162   1.026  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.964  -1.046   0.143  0.00  0.00    +0.305 C 
ATOM     23  O   LIG    1        6.989  -1.082  -1.074  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        7.130  -2.175   0.862  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1        7.253  -2.870   0.181  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 15