REMARK  Name = BDB016376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.880  -0.577   3.119  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.879   0.625   2.178  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -3.184   0.353   0.933  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.175   0.291   1.072  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.627  -0.559  -0.035  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.958  -1.015  -0.182  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -5.268  -1.950  -1.193  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -4.312  -2.403  -2.094  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.019  -1.918  -2.007  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -6.077  -0.659   0.598  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.935  -1.168   0.420  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -6.279   0.279   1.552  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -7.395   0.342   2.078  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.661  -0.997  -1.004  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -5.219   1.263   1.915  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -1.263  -0.520  -0.997  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -0.219  -1.355  -0.577  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        1.107  -0.904  -0.567  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.415   0.392  -0.980  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        0.379   1.231  -1.403  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -0.945   0.780  -1.412  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  N   LIG    1        2.717   0.918  -0.999  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        2.842   1.868  -1.319  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.887   0.313  -0.636  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        4.041  -0.820  -0.214  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.887   1.212  -0.828  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.266   0.868  -0.532  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        6.759  -0.280  -1.420  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.458   0.564   0.958  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.065   2.133  -0.880  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 4