REMARK  Name = BDB060677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.918   1.827  -0.923  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.286   1.500  -0.688  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.017   2.642  -0.986  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        4.397   2.696  -0.877  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        5.000   1.513  -0.444  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.220   0.388  -0.156  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1        2.193   3.647  -1.380  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        2.869   0.348  -0.268  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        0.928   3.148  -1.335  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.628  -0.531  -0.444  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -2.577   0.485  -1.404  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.421   1.256  -1.565  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -0.290   1.029  -0.767  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -0.344   0.007   0.189  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -1.500  -0.764   0.350  0.00  0.00    +0.004 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -3.876  -1.363  -0.267  0.00  0.00    +0.038 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -5.258   0.359   1.004  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -4.655  -1.048   1.026  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -5.766  -2.082   1.225  0.00  0.00    +0.007 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        4.813  -0.862   0.296  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        6.143  -1.101   0.582  0.00  0.00    +0.115 A 
ATOM     22  N   LIG    1        6.224  -2.408   0.973  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        7.047  -2.929   1.257  0.00  0.00    +0.188 HD
ATOM     24  N   LIG    1        5.044  -3.044   0.966  0.00  0.00    -0.182 NA
ATOM     25  C   LIG    1        4.187  -2.105   0.556  0.00  0.00    +0.144 A 
ENDBRANCH   6  20
TORSDOF 4