REMARK  Name = BDB059985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.593   1.270   0.906  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        2.983   0.496  -0.122  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.636   0.061   0.003  0.00  0.00    +0.085 A 
ATOM      4  N   LIG    1        1.037  -0.649  -0.991  0.00  0.00    -0.254 NA
ATOM      5  C   LIG    1        1.738  -0.974  -2.098  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        3.049  -0.616  -2.295  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        0.950   0.371   1.190  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        1.586   1.063   2.232  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        3.671   0.124  -1.298  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.900   1.490   2.096  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -0.474  -0.030   1.442  0.00  0.00    +0.247 C 
ATOM     12  N   LIG    1       -1.178  -0.581   0.397  0.00  0.00    -0.300 N 
ATOM     13  H   LIG    1       -0.609  -0.878  -0.402  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1       -0.979   0.141   2.548  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -2.486  -1.193   0.574  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -2.807  -2.000  -0.689  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.202  -3.027  -0.997  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -3.707  -1.444  -1.567  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -3.839  -1.954  -2.429  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -4.130  -0.140  -1.591  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -4.666   0.328  -2.592  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -3.836   0.695  -0.369  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -3.597  -0.181   0.851  0.00  0.00    +0.041 C 
ENDBRANCH  12  15
ENDBRANCH   7  11
BRANCH   1  24
ATOM     24  N   LIG    1        4.949   1.654   0.857  0.00  0.00    -0.357 N 
ATOM     25  H   LIG    1        5.286   1.865  -0.076  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1        5.186   2.397   1.509  0.00  0.00    +0.142 HD
ENDBRANCH   1  24
TORSDOF 3