REMARK  Name = BDB025294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.949   0.065  -0.032  0.00  0.00    -0.317 N 
ATOM      2  C   LIG    1       -2.442  -0.537  -1.169  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -1.380  -1.153  -1.830  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -1.666  -1.816  -3.034  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.987  -1.812  -3.480  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -3.952  -1.166  -2.720  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -0.217  -0.930  -1.043  0.00  0.00    -0.003 A 
ATOM      8  C   LIG    1        1.190  -1.386  -1.267  0.00  0.00    +0.122 C 
ATOM      9  N   LIG    1        2.126  -0.578  -0.444  0.00  0.00    -0.294 NA
ATOM     10  C   LIG    1        1.681  -0.513   0.970  0.00  0.00    +0.091 C 
ATOM     11  C   LIG    1        0.335   0.241   1.131  0.00  0.00    +0.069 C 
ATOM     12  N   LIG    1       -3.737  -0.519  -1.553  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -0.609  -0.203   0.068  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -6.444   2.181   2.234  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.396   1.700   1.815  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -4.847   2.113   0.629  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -5.339   2.865   0.166  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -3.542   1.940   0.231  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -3.036   2.736  -0.560  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -2.761   0.822   0.916  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1       -3.674  -0.104   1.726  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.585   0.716   2.622  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
BRANCH   9  23
ATOM     23  C   LIG    1        3.483  -1.134  -0.562  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.562  -0.219  -0.020  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        4.657   1.111  -0.459  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.662   1.949   0.026  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.587   1.466   0.950  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.508   0.145   1.388  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.503  -0.695   0.904  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 3