REMARK  Name = BDB011140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.908  -0.379  -0.588  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -0.849  -1.068  -1.171  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -1.119  -2.355  -1.650  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.410  -2.890  -1.559  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.411  -2.097  -0.966  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -4.693  -2.622  -0.871  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -5.001  -3.900  -1.345  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -4.008  -4.680  -1.928  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.713  -4.178  -2.035  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.165  -0.865  -0.491  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.635   0.873  -0.072  0.00  0.00    -0.476 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -2.739   1.526   0.560  0.00  0.00    +0.233 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.872   1.088   2.015  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.995   1.839   2.718  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.253   1.811   4.982  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1       -4.213   1.349   4.041  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1        0.540  -0.474  -1.227  0.00  0.00    +0.161 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.211  -0.944  -2.407  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.664  -0.667  -3.163  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        1.354  -0.854   0.021  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.592  -0.060   0.129  0.00  0.00    -0.099 C 
ATOM     22  C   LIG    1        3.606   0.579   0.216  0.00  0.00    -0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.854   1.351   0.307  0.00  0.00    +0.089 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.282   1.843  -1.079  0.00  0.00    +0.024 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.543   2.698  -1.034  0.00  0.00    +0.121 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.757   1.897  -0.640  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1        8.263   1.932   0.471  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        8.232   1.116  -1.633  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1        7.726   1.175  -2.466  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 14