REMARK  Name = BDB053568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.348   0.344  -0.510  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        0.988  -0.780  -1.032  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        2.388  -0.853  -1.068  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        3.197   0.187  -0.584  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.533   1.307  -0.058  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.133   1.386  -0.019  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        4.627   0.109  -0.623  0.00  0.00    -0.202 N 
ATOM      8  C   LIG    1        5.351  -0.958  -1.123  0.00  0.00    +0.258 C 
ATOM      9  O   LIG    1        5.014  -2.020  -1.616  0.00  0.00    -0.269 OA
ATOM     10  C   LIG    1        6.764  -0.631  -0.974  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        6.848   0.613  -0.394  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        8.064   1.211  -0.118  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        9.220   0.500  -0.453  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        9.135  -0.775  -1.048  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.891  -1.356  -1.316  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        5.488   1.090  -0.167  0.00  0.00    +0.258 C 
ATOM     17  O   LIG    1        5.296   2.179   0.344  0.00  0.00    -0.269 OA
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.157   0.417  -0.450  0.00  0.00    +0.040 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.698  -0.155   0.863  0.00  0.00    +0.040 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -6.015   0.059   0.988  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -5.238   1.115   1.466  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.844   1.048   1.433  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.204  -0.086   0.921  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -3.985  -1.142   0.438  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -5.383  -1.073   0.473  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -7.365   0.256   1.082  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -8.205  -0.772   0.574  0.00  0.00    +0.349 C 
BRANCH  27  29
ATOM     28  O   LIG    1      -10.579  -1.200   0.935  0.00  0.00    -0.247 OA
ATOM     29  C   LIG    1       -9.670  -0.410   0.723  0.00  0.00    +0.343 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -9.944   0.896   0.533  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1      -10.912   0.964   0.656  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8