REMARK  Name = BDB039064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.333   1.311   1.128  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.398   0.292   1.165  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        4.050   0.607   0.705  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        3.015  -0.443   1.020  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.355  -1.664   1.647  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.370  -2.615   1.942  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.029  -2.407   1.606  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.703  -1.204   0.968  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.486  -0.663   0.504  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -0.193   0.564  -0.069  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.094   0.830   0.046  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.785  -1.917   2.057  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.663  -0.242   0.675  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.767  -1.117   1.206  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.063   2.481   0.880  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.174   1.505  -0.720  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -0.708   1.861  -2.147  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -1.249   3.212  -2.596  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -0.719   4.346  -1.709  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -0.508   3.928  -0.244  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -1.395   2.751   0.162  0.00  0.00    +0.012 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -1.621   5.552  -1.840  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -1.428   6.513  -2.568  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -2.748   5.476  -1.108  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -3.219   6.310  -1.317  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        8.584   1.904   1.380  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        7.594   0.876   1.401  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.793  -1.327   0.625  0.00  0.00    +0.088 C 
ATOM     29  C   LIG    1       -2.799  -0.489   1.417  0.00  0.00    +0.031 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -2.265  -1.865  -0.743  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.592  -2.637  -0.780  0.00  0.00    +0.120 C 
ATOM     32  O   LIG    1       -4.664  -1.765  -0.435  0.00  0.00    -0.376 OA
ATOM     33  C   LIG    1       -5.952  -2.304  -0.744  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -6.031  -3.825  -0.618  0.00  0.00    +0.028 C 
ATOM     35  C   LIG    1       -5.050  -4.338   0.424  0.00  0.00    +0.005 C 
ATOM     36  C   LIG    1       -3.622  -3.881   0.117  0.00  0.00    +0.032 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 7