REMARK  Name = BDB028230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.475   0.587   0.278  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.637  -0.263   0.380  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.910   0.265   0.633  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.066   1.642   0.770  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.410   2.193   1.005  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.436   1.282   1.063  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.371   1.644   1.221  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.316  -0.069   0.950  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.591   3.398   1.135  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        0.962   2.497   0.677  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.131  -0.571   0.757  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.307   1.968   0.436  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.334  -1.347   2.151  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -2.601  -0.799   0.799  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -1.796   0.030   0.021  0.00  0.00    +0.076 A 
ATOM     16  N   LIG    1       -2.526   0.228  -1.134  0.00  0.00    -0.296 N 
ATOM     17  C   LIG    1       -3.703  -0.460  -0.987  0.00  0.00    +0.157 A 
ATOM     18  C   LIG    1       -4.660  -0.418  -2.057  0.00  0.00    +0.157 A 
ATOM     19  N   LIG    1       -4.434   0.249  -3.159  0.00  0.00    -0.258 NA
ATOM     20  C   LIG    1       -3.225   0.918  -3.264  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -2.282   0.928  -2.305  0.00  0.00    +0.113 A 
ATOM     22  N   LIG    1       -3.787  -1.092   0.159  0.00  0.00    -0.231 NA
ENDBRANCH   1  15
BRANCH  11  23
ATOM     23  C   LIG    1        3.027  -2.090   0.650  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.896  -2.463  -0.760  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1        3.725  -2.128  -1.256  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        2.930  -3.479  -0.836  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 3