REMARK  Name = BDB037086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.776   0.301   0.722  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.601  -0.041   0.106  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        1.417  -0.936  -0.696  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.585   0.906   0.580  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        1.223   1.798   1.423  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        0.558   2.835   2.048  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.808   2.960   1.791  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -1.474   2.061   0.922  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -2.944   2.237   0.670  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -3.376   1.456  -0.562  0.00  0.00    +0.053 C 
ATOM     11  C   LIG    1       -2.779   0.035  -0.565  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1       -3.272  -0.862   0.589  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.739  -1.248   0.433  0.00  0.00    +0.085 C 
ATOM     14  N   LIG    1       -4.993  -1.913  -0.845  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1       -4.468  -2.789  -0.875  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -4.588  -1.081  -1.978  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -3.119  -0.676  -1.892  0.00  0.00    +0.063 C 
ATOM     18  O   LIG    1       -1.338   0.099  -0.519  0.00  0.00    -0.485 OA
ATOM     19  C   LIG    1       -0.769   1.007   0.320  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1        2.631   1.422   1.492  0.00  0.00    +0.255 C 
ATOM     21  O   LIG    1        3.471   2.022   2.135  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  28
ATOM     22  O   LIG    1        6.853  -2.386  -1.795  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        6.010  -1.786  -1.134  0.00  0.00    +0.219 C 
ATOM     24  N   LIG    1        5.519  -0.572  -1.547  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1        5.850  -0.242  -2.443  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        4.555   0.203  -0.940  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1        4.179   1.250  -1.464  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1        4.073  -0.289   0.429  0.00  0.00    +0.171 C 
ATOM     29  C   LIG    1        4.098  -1.814   0.483  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1        5.511  -2.301   0.196  0.00  0.00    +0.098 C 
ENDBRANCH   1  28
TORSDOF 1