REMARK  Name = BDB058435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.799   2.032  -1.442  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.135   1.067  -0.499  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.891   0.107   0.196  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.245  -0.783   1.060  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.141  -0.721   1.237  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.904   0.236   0.558  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1        0.256   1.121  -0.314  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   8
ATOM      8  O   LIG    1       -3.239   0.128  -0.046  0.00  0.00    -0.487 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.050  -0.820   0.640  0.00  0.00    +0.264 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.481  -0.597   0.218  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -5.997  -1.242  -0.915  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -7.317  -1.023  -1.318  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -8.125  -0.148  -0.594  0.00  0.00    +0.013 A 
ATOM     14  I   LIG    1      -10.088   0.181  -1.193  0.00  0.00    -0.044 I 
ATOM     15  C   LIG    1       -7.622   0.513   0.526  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -6.302   0.292   0.927  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1        2.404   0.301   0.735  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.051  -0.204  -0.468  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        2.541  -0.978  -0.886  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.434  -0.400  -0.489  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.323   0.256   0.370  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.710   0.073   0.255  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1        7.224  -0.752  -0.750  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.357  -1.378  -1.639  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.978  -1.190  -1.514  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.668   0.741   1.168  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        8.882   0.652   1.119  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.065   1.489   2.109  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.812   1.863   2.622  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 8