REMARK  Name = BDB064760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.822   0.770   0.670  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        1.500   0.482   0.295  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        0.615   1.499  -0.102  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        1.090   2.819  -0.135  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        2.395   3.124   0.250  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.253   2.102   0.660  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.822  -1.494   0.565  0.00  0.00    +0.067 C 
ATOM      8  C   LIG    1        3.752  -0.274   1.121  0.00  0.00    +0.013 C 
BRANCH   7  12
ATOM      9  N   LIG    1        5.899  -2.174   1.598  0.00  0.00    -0.326 N 
ATOM     10  H   LIG    1        6.562  -2.906   1.818  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1        6.237  -1.225   1.554  0.00  0.00    +0.145 HD
ATOM     12  C   LIG    1        4.729  -2.566   1.031  0.00  0.00    +0.234 C 
ATOM     13  O   LIG    1        4.456  -3.745   0.858  0.00  0.00    -0.271 OA
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  C   LIG    1       -0.762   1.192  -0.530  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -1.538   0.248   0.028  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.914  -0.030  -0.409  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -3.352  -1.361  -0.464  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -4.662  -1.647  -0.848  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -5.550  -0.629  -1.169  0.00  0.00    +0.090 A 
ATOM     20  C   LIG    1       -5.121   0.690  -1.099  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -3.816   0.999  -0.718  0.00  0.00    +0.053 A 
BRANCH  18  22
ATOM     22  O   LIG    1       -5.114  -2.933  -0.921  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -4.388  -3.534  -0.686  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
BRANCH  20  24
ATOM     24  O   LIG    1       -6.019   1.669  -1.409  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -5.582   2.532  -1.317  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH  15  16
ENDBRANCH   3  14
BRANCH   4  26
ATOM     26  O   LIG    1        0.254   3.826  -0.542  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        0.729   4.671  -0.488  0.00  0.00    +0.292 HD
ENDBRANCH   4  26
TORSDOF 7