REMARK  Name = BDB052605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.369   0.477   1.704  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -1.027   0.588   1.587  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.682   1.259   2.607  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1       -3.022   1.259   2.383  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1       -3.257   0.597   1.209  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -1.135   1.837   3.684  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1        0.192   1.691   3.688  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1       -2.048   0.176   0.673  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1        0.956   1.058   2.779  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -4.670   0.513   0.833  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -5.074   0.469  -0.509  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -6.428   0.381  -0.850  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.399   0.342   0.147  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.018   0.392   1.485  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.665   0.479   1.823  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1       -1.907  -0.559  -0.566  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.409   0.085  -1.706  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.250  -0.625  -2.896  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.585  -1.978  -2.950  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.079  -2.623  -1.816  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.240  -1.916  -0.624  0.00  0.00    +0.008 A 
ENDBRANCH   8  16
BRANCH   1  22
ATOM     22  N   LIG    1        1.148  -0.229   0.788  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1        0.676  -0.380  -0.096  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.546   0.177   0.686  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.264  -0.705  -0.341  0.00  0.00    +0.054 C 
BRANCH  25  29
ATOM     26  C   LIG    1        7.389   0.431  -0.787  0.00  0.00    +0.117 A 
ATOM     27  C   LIG    1        7.032  -0.480   0.202  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        5.693  -0.851   0.341  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.713  -0.317  -0.508  0.00  0.00    -0.046 A 
ATOM     30  C   LIG    1        5.093   0.603  -1.495  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        6.431   0.974  -1.634  0.00  0.00    +0.045 A 
BRANCH  26  32
ATOM     32  O   LIG    1        8.684   0.822  -0.958  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        9.233   0.366  -0.300  0.00  0.00    +0.292 HD
ENDBRANCH  26  32
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 7