REMARK  Name = BDB011147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.045  -0.604  -0.337  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -0.063  -1.536  -0.033  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.505  -2.776   0.432  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.874  -3.044   0.569  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.312  -4.292   1.030  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.671  -4.554   1.168  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.614  -3.574   0.851  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -4.177  -2.308   0.384  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.162  -1.345   0.076  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -6.524  -1.615   0.221  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.936  -2.861   0.679  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.988  -3.834   0.992  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.800  -2.033   0.237  0.00  0.00    +0.082 A 
ATOM     14  N   LIG    1       -2.370  -0.830  -0.207  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  15
ATOM     15  O   LIG    1       -0.620   0.639  -0.763  0.00  0.00    -0.476 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.661   1.523  -1.194  0.00  0.00    +0.231 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.199   2.339  -0.017  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.369   3.251  -0.393  0.00  0.00    +0.003 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.975   5.284  -1.054  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -3.069   4.308  -1.459  0.00  0.00    -0.003 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   2  21
ATOM     21  C   LIG    1        1.403  -1.199  -0.169  0.00  0.00    +0.161 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.161  -2.411  -0.313  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        3.078  -2.138  -0.496  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        1.909  -0.412   1.055  0.00  0.00    +0.125 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.274   0.104   0.838  0.00  0.00    -0.099 C 
ATOM     26  C   LIG    1        4.387   0.518   0.655  0.00  0.00    -0.102 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.748   1.028   0.428  0.00  0.00    +0.089 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.745  -0.128   0.281  0.00  0.00    +0.024 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.191   0.352   0.158  0.00  0.00    +0.121 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.493   0.993  -1.178  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        7.704   1.109  -2.102  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.768   1.439  -1.254  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       10.300   1.266  -0.455  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  21
TORSDOF 14