REMARK  Name = BDB016374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.776   2.263  -1.472  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -4.209   0.836  -1.120  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -3.346   0.350  -0.055  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.405   0.736  -0.109  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.310  -1.027   0.246  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.373  -1.934   0.013  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.212  -3.294   0.350  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.057  -3.767   0.960  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.034  -2.881   1.255  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -5.638  -1.647  -0.544  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -6.250  -2.437  -0.709  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -6.268  -0.492  -0.870  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -7.409  -0.564  -1.338  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -2.142  -1.518   0.922  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -5.636   0.838  -0.620  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -1.009  -0.641   1.282  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        0.209  -0.720   0.584  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        1.292   0.109   0.911  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        1.151   1.025   1.953  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -0.052   1.114   2.658  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.123   0.286   2.325  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  N   LIG    1        2.467  -0.041   0.155  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        2.476  -0.735  -0.579  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.646   0.639   0.269  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.924   1.527   1.057  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.491   0.148  -0.675  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.839   0.669  -0.813  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        6.668   0.416   0.452  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        5.828   2.151  -1.205  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.451  -0.138  -1.968  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 4