REMARK  Name = BDB064738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.181  -2.255  -0.678  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.340  -1.662  -1.647  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1        0.019  -2.371  -2.814  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.513  -3.661  -3.020  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.328  -4.240  -2.055  0.00  0.00    +0.117 A 
ATOM      6  C   LIG    1        1.663  -3.553  -0.892  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.285  -0.446   0.570  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        1.566  -1.579   0.571  0.00  0.00    +0.014 C 
BRANCH   7  12
ATOM      9  C   LIG    1        1.965   1.006   4.024  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1        1.785   0.213   2.835  0.00  0.00    -0.315 N 
ATOM     11  H   LIG    1        0.870  -0.180   2.662  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        2.673   0.295   1.793  0.00  0.00    +0.237 C 
ATOM     13  O   LIG    1        3.684   0.987   1.795  0.00  0.00    -0.271 OA
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  C   LIG    1       -0.233  -0.319  -1.481  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -1.239  -0.085  -0.625  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.794   1.251  -0.383  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -3.181   1.406  -0.282  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -3.726   2.660  -0.015  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.909   3.770   0.169  0.00  0.00    +0.090 A 
ATOM     20  C   LIG    1       -1.531   3.610   0.087  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -0.965   2.365  -0.183  0.00  0.00    +0.053 A 
BRANCH  18  22
ATOM     22  O   LIG    1       -5.084   2.758   0.064  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -5.316   3.685   0.241  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
BRANCH  20  24
ATOM     24  O   LIG    1       -0.754   4.714   0.289  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        0.181   4.456   0.220  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH  15  16
ENDBRANCH   2  14
BRANCH   5  26
ATOM     26  O   LIG    1        1.829  -5.499  -2.213  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        1.529  -5.851  -3.067  0.00  0.00    +0.292 HD
ENDBRANCH   5  26
TORSDOF 7