REMARK  Name = BDB028167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.086   1.518   0.734  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.931   0.392   0.691  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.305   0.525   0.449  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.842   1.790   0.233  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        5.280   1.923  -0.053  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.998   0.753  -0.096  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.991   0.824  -0.294  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        5.510  -0.497   0.128  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        5.795   3.018  -0.243  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        3.024   2.923   0.272  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.242  -0.626   0.398  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.657   2.784   0.524  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -3.614  -0.393   0.004  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -2.514   0.368   0.518  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -3.009   1.175   1.535  0.00  0.00    +0.138 A 
ATOM     16  N   LIG    1       -2.330   2.053   2.293  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1       -1.012   2.107   1.975  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -0.356   1.369   0.983  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1       -4.347   0.931   1.652  0.00  0.00    -0.346 N 
ATOM     20  H   LIG    1       -4.942   1.393   2.323  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1       -1.138   0.472   0.236  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -4.729  -0.014   0.736  0.00  0.00    +0.089 A 
BRANCH  13  24
ATOM     23  C   LIG    1       -3.953  -2.803  -0.623  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -3.565  -1.405  -1.111  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -4.441  -0.986  -2.294  0.00  0.00    +0.012 C 
ENDBRANCH  13  24
ENDBRANCH   1  18
BRANCH  11  26
ATOM     26  C   LIG    1        3.728  -2.038   0.662  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.035  -2.530  -0.531  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1        2.797  -3.511  -0.390  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        3.701  -2.524  -1.308  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4