REMARK  Name = BDB018891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.226  -1.536   0.231  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.904  -1.131   0.314  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.153  -0.115  -0.314  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.154  -0.102   0.210  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        2.136   0.792  -0.238  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.767   1.667  -1.271  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.473   1.658  -1.804  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.307  -1.145   1.278  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.493   0.767  -1.325  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.016  -1.940   1.126  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.578  -2.577   0.804  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.498   0.833   0.306  0.00  0.00    +0.091 A 
ATOM     13  N   LIG    1        4.504   0.678  -0.596  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1        5.759   0.713  -0.113  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1        6.006   0.898   1.246  0.00  0.00    +0.154 A 
ATOM     16  N   LIG    1        5.025   1.080   2.161  0.00  0.00    -0.258 NA
ATOM     17  C   LIG    1        3.770   1.044   1.656  0.00  0.00    +0.139 A 
BRANCH  14  18
ATOM     18  N   LIG    1        6.788   0.518  -1.031  0.00  0.00    -0.342 N 
ATOM     19  H   LIG    1        7.478   1.259  -0.995  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        6.360   0.443  -1.952  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  N   LIG    1       -4.607  -1.339  -0.621  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -3.261  -0.674  -0.494  0.00  0.00    +0.170 C 
ATOM     23  C   LIG    1       -3.556   0.601   0.306  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1       -5.009   0.903  -0.005  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.646  -0.474  -0.026  0.00  0.00    +0.117 C 
BRANCH  21  27
ATOM     26  N   LIG    1       -5.048  -3.457  -1.863  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -4.835  -2.489  -1.266  0.00  0.00    +0.170 C 
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 4