REMARK  Name = BDB012781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.631   0.925   0.149  0.00  0.00    +0.093 C 
ATOM      2  C   LIG    1       -0.937  -0.369  -0.296  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.488  -0.075  -0.204  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        1.417  -1.071  -0.465  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.056  -2.218  -0.721  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.713   1.175   0.509  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.630   1.507   1.145  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   1  11
ATOM      8  N   LIG    1       -5.128   0.155   0.641  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -5.179   0.661   1.513  0.00  0.00    +0.150 HD
ATOM     10  C   LIG    1       -3.997   0.409  -0.091  0.00  0.00    +0.300 C 
ATOM     11  N   LIG    1       -2.944   0.730   0.731  0.00  0.00    -0.295 N 
ATOM     12  H   LIG    1       -2.983   0.267   1.628  0.00  0.00    +0.151 HD
ATOM     13  O   LIG    1       -3.922   0.353  -1.310  0.00  0.00    -0.253 OA
BRANCH   8  15
ATOM     14  C   LIG    1       -7.324  -0.868   0.939  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.396  -0.129  -0.020  0.00  0.00    +0.068 C 
ATOM     16  C   LIG    1       -7.051   1.156  -0.523  0.00  0.00    +0.027 C 
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  17
ATOM     17  C   LIG    1        2.811  -0.714  -0.414  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1        3.360   0.448  -0.876  0.00  0.00    -0.272 N 
ATOM     19  H   LIG    1        2.884   1.216  -1.335  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        4.686   0.543  -0.694  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1        5.027  -0.646  -0.180  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        3.891  -1.471  -0.003  0.00  0.00    +0.057 A 
BRANCH  21  23
ATOM     23  C   LIG    1        6.457  -0.980   0.135  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        7.034  -0.051   1.206  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1        7.333  -0.967  -1.119  0.00  0.00    +0.014 C 
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 4