REMARK  Name = BDB056272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242  -1.810   0.355  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.271  -0.526   0.574  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.528  -0.190   0.068  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        2.272  -1.148  -0.632  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.756  -2.431  -0.851  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.502  -2.768  -0.341  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.597  -0.811  -1.197  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        4.580  -0.356  -0.340  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        5.899  -0.014  -0.850  0.00  0.00    +0.116 C 
ATOM     10  C   LIG    1        6.658   0.514   0.374  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1        8.166   0.378   0.258  0.00  0.00    +0.089 C 
ATOM     12  N   LIG    1        8.586   1.516  -0.568  0.00  0.00    -0.315 NA
ATOM     13  H   LIG    1        8.551   1.251  -1.554  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        7.620   2.599  -0.334  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        6.503   2.027   0.531  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        6.031  -0.291   1.514  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1        4.563  -0.383   1.116  0.00  0.00    +0.109 C 
ATOM     18  O   LIG    1        3.769  -0.963  -2.404  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  O   LIG    1       -1.587  -3.115   1.717  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1       -1.561  -2.194   0.905  0.00  0.00    +0.247 C 
ATOM     21  N   LIG    1       -2.693  -1.498   0.475  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1       -2.708  -0.711  -0.761  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -4.112  -0.301  -1.201  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -4.885   0.271  -0.005  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1       -4.963  -0.749   1.152  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -3.984  -1.913   1.006  0.00  0.00    +0.109 C 
BRANCH  24  27
ATOM     27  N   LIG    1       -6.160   0.868  -0.420  0.00  0.00    -0.299 NA
ATOM     28  C   LIG    1       -6.883   1.567   0.640  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -8.192   1.907  -0.048  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -8.451   0.726  -0.974  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -7.125  -0.026  -1.057  0.00  0.00    +0.085 C 
ENDBRANCH  24  27
ENDBRANCH   1  20
TORSDOF 3