REMARK  Name = BDB018781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.050   0.318  -1.045  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -4.068  -0.810  -0.933  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -2.924  -0.324  -0.023  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1       -3.104  -0.876   1.409  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1       -4.184  -1.165   1.916  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -1.952  -0.925   2.152  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -2.037  -1.187   3.126  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.706  -0.733   1.556  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -0.593  -0.576   0.177  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1        0.583  -0.420  -0.460  0.00  0.00    -0.211 NA
ATOM     11  C   LIG    1        1.712  -0.396   0.293  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1        1.677  -0.568   1.680  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        0.451  -0.739   2.320  0.00  0.00    +0.031 A 
ATOM     14  O   LIG    1       -1.681  -0.634  -0.654  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1       -3.111   1.201  -0.020  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -4.614   1.390  -0.123  0.00  0.00    +0.121 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.962  -0.224  -0.454  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.947   0.706  -0.040  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.129   0.825  -0.768  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1        5.864   1.787  -0.124  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1        6.782   2.134  -0.376  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1        5.258   2.310   0.955  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1        5.404   0.074  -1.914  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.423  -0.824  -2.334  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        4.089   1.669   0.992  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        3.229  -0.967  -1.625  0.00  0.00    +0.011 A 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  N   LIG    1       -7.409   0.018  -1.807  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -6.315   0.157  -1.455  0.00  0.00    +0.169 C 
ENDBRANCH   1  28
TORSDOF 2