REMARK  Name = BDB064759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.330   0.607   0.820  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        1.047   0.117   0.516  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.111   0.884   0.735  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        0.030   2.161   1.294  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        1.292   2.670   1.602  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.431   1.897   1.364  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.923  -1.546  -0.914  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1        3.774  -0.771  -0.692  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        3.531  -0.208   0.572  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        4.467  -0.445   1.595  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.612  -1.218   1.371  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.845  -1.771   0.114  0.00  0.00    +0.033 A 
BRANCH   7  14
ATOM     13  O   LIG    1        6.229  -2.726  -2.426  0.00  0.00    -0.126 OA
ATOM     14  N   LIG    1        5.160  -2.128  -2.241  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1        4.275  -1.989  -3.098  0.00  0.00    -0.126 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -1.406   0.267   0.403  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -2.357   0.887  -0.312  0.00  0.00    +0.009 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.648   0.274  -0.644  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -4.816   1.036  -0.501  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1       -6.051   0.483  -0.831  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -6.145  -0.815  -1.315  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1       -4.986  -1.565  -1.471  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.739  -1.033  -1.144  0.00  0.00    +0.053 A 
BRANCH  20  24
ATOM     24  O   LIG    1       -7.207   1.196  -0.693  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -6.990   2.072  -0.333  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
BRANCH  22  26
ATOM     26  O   LIG    1       -5.109  -2.833  -1.959  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -4.224  -3.226  -2.036  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
ENDBRANCH  17  18
ENDBRANCH   3  16
BRANCH   4  28
ATOM     28  O   LIG    1       -1.079   2.920   1.556  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1       -0.805   3.741   1.995  0.00  0.00    +0.292 HD
ENDBRANCH   4  28
TORSDOF 7