REMARK  Name = BDB000678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.358   0.706   0.754  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.772   0.137   0.229  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -0.689  -0.443  -0.606  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.313   1.554   1.644  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1        7.779   1.018   0.927  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        6.519   0.451   0.342  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1        5.266   0.858   0.828  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.091   0.355   0.264  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.182  -0.545  -0.790  0.00  0.00    +0.139 A 
ATOM     10  O   LIG    1        3.024  -1.071  -1.385  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1        1.753  -0.711  -0.949  0.00  0.00    +0.350 A 
ATOM     12  C   LIG    1        1.661   0.244   0.180  0.00  0.00    +0.122 A 
ATOM     13  O   LIG    1        0.752  -1.172  -1.492  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1        5.411  -0.953  -1.298  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        2.775   0.742   0.743  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        6.581  -0.449  -0.733  0.00  0.00    +0.007 A 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1       -2.093   0.601   0.599  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.196  -0.360   0.204  0.00  0.00    -0.023 A 
ATOM     19  C   LIG    1       -4.486   0.094  -0.206  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -5.471  -0.870  -0.550  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -6.747  -0.461  -0.974  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -7.078   0.889  -1.056  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -6.138   1.848  -0.711  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.179  -2.238  -0.461  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -3.935  -2.674  -0.022  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.863   1.457  -0.291  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -2.958  -1.745   0.316  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 3