REMARK  Name = BDB037081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.586   0.807   0.047  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.641  -0.145   0.400  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.805  -1.187   1.003  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.350   0.324  -0.115  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.575   1.506  -0.836  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1       -0.474   2.178  -1.439  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -1.727   1.608  -1.288  0.00  0.00    +0.125 A 
ATOM      8  O   LIG    1       -2.873   2.146  -1.820  0.00  0.00    -0.491 OA
ATOM      9  C   LIG    1       -3.818   1.052  -1.732  0.00  0.00    +0.240 C 
ATOM     10  C   LIG    1       -3.424   0.143  -0.543  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1       -4.031   0.646   0.785  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.389   0.001   1.047  0.00  0.00    +0.082 C 
ATOM     13  N   LIG    1       -5.346  -1.459   1.101  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -5.393  -1.778   2.069  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -4.181  -2.059   0.452  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.804  -1.321  -0.829  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -1.953   0.432  -0.561  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.903  -0.243   0.045  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        2.031   1.829  -0.831  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1        7.586  -1.435   0.622  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        6.497  -0.874   0.533  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        5.720  -1.013  -0.589  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1        6.085  -1.622  -1.308  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        4.557  -0.346  -0.900  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        4.057  -0.460  -2.018  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1        4.028   0.619   0.172  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        4.472   0.172   1.564  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        5.988   0.067   1.599  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
TORSDOF 1