REMARK  Name = BDB014446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.626   2.639  -0.840  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.104   1.506  -0.876  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.805   0.554   0.071  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -1.334  -0.312   0.061  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.050   0.862   1.277  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.452   0.541   1.151  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        1.581  -0.821   0.710  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        1.141  -0.861  -0.159  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        2.188   1.509   0.189  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.663   1.542   0.230  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        4.292   0.243  -0.062  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        5.808   0.312  -0.051  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.475   1.328   0.658  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        7.877   1.354   0.686  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.613   0.366   0.030  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.956  -0.652  -0.658  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.684   2.429   1.321  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        6.561  -0.683  -0.695  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.195   2.083   1.485  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.032   1.050  -2.013  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.073   0.156  -1.637  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.845  -1.192  -1.633  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -3.601  -1.958  -0.719  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1       -3.390  -3.350  -0.675  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -2.462  -3.968  -1.513  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -1.736  -3.206  -2.419  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -1.931  -1.825  -2.485  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.637  -1.373   0.238  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -5.872  -0.814  -0.491  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1       -6.923  -0.328   0.508  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -6.342   0.703   1.474  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -5.119   0.156   2.207  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -4.056  -0.345   1.227  0.00  0.00    +0.008 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9