REMARK  Name = BDB008968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.143   0.157  -2.020  0.00  0.00    +0.095 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.358   0.424  -1.898  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.120  -0.111  -0.726  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -1.466  -1.032   0.265  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -2.456  -1.705   1.222  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.514  -0.722   1.706  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.294  -0.138   0.526  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.406   0.265  -0.619  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.025   1.112  -1.668  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -5.197   1.467  -1.607  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -3.212   1.458  -2.713  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -3.618   2.034  -3.443  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -1.892   1.156  -2.833  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     14  C   LIG    1        1.966   0.715  -0.263  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        0.982   1.096  -1.183  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        0.815   2.481  -1.378  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        1.573   3.405  -0.665  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.505   2.927   0.231  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        2.722   1.615   0.448  0.00  0.00    -0.250 NA
BRANCH  14  22
ATOM     20  N   LIG    1        3.453  -0.840   0.856  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        3.793   0.042   1.236  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        2.320  -0.720   0.071  0.00  0.00    +0.263 C 
ATOM     23  O   LIG    1        1.659  -1.685  -0.287  0.00  0.00    -0.269 OA
BRANCH  20  25
ATOM     24  C   LIG    1        5.274  -2.065   1.934  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        3.830  -2.089   1.474  0.00  0.00    +0.101 C 
ENDBRANCH  20  25
ENDBRANCH  14  22
ENDBRANCH   1  15
TORSDOF 4