REMARK  Name = BDB011139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110  -2.391  -0.070  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1        1.478  -2.608  -0.199  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.952  -3.869   0.180  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.071  -4.844   0.665  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.295  -4.511   0.759  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -1.173  -5.471   1.242  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -0.733  -6.741   1.630  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.616  -7.064   1.536  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.518  -6.119   1.054  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.767  -3.306   0.399  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        2.440  -1.551  -0.693  0.00  0.00    +0.161 C 
BRANCH  11  12
ATOM     12  O   LIG    1        2.024  -1.085  -1.981  0.00  0.00    -0.386 OA
ATOM     13  H   LIG    1        1.107  -0.769  -1.883  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1        2.576  -0.380   0.300  0.00  0.00    +0.125 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.771   0.437   0.020  0.00  0.00    -0.099 C 
ATOM     16  C   LIG    1        4.742   1.109  -0.204  0.00  0.00    -0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.923   1.936  -0.491  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.862   1.989   0.717  0.00  0.00    +0.024 C 
BRANCH  18  19
ATOM     19  C   LIG    1        8.130   2.789   0.430  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1        7.833   4.251   0.248  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1        7.264   4.979   1.044  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1        8.254   4.724  -0.941  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1        7.996   5.670  -0.929  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   2  11
BRANCH   1  24
ATOM     24  O   LIG    1       -0.366  -1.152  -0.464  0.00  0.00    -0.476 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.781  -1.006  -0.309  0.00  0.00    +0.231 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.151   0.399  -0.779  0.00  0.00    +0.041 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.653   0.656  -0.664  0.00  0.00    +0.003 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.009   2.069  -1.131  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.517   2.341  -1.166  0.00  0.00    -0.000 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.162   2.361   0.222  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -8.020   4.039  -0.284  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -7.668   2.635   0.186  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 17