REMARK  Name = BDB028351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442  -2.239   1.089  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1       -0.748  -3.468   1.636  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.546  -4.520   1.048  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.230  -3.659   2.863  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.368  -2.501   3.140  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.285  -1.579   2.074  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        0.790  -0.220   1.990  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.514   0.212   0.868  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        1.953   1.540   0.773  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.700   2.420   1.821  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.188   3.806   1.730  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        2.872   4.131   0.586  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.205   5.085   0.497  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.106   3.306  -0.470  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        1.998   4.611   2.635  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        0.997   1.996   2.953  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        2.677   2.079  -0.408  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.540   0.679   3.034  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.936   1.182  -1.619  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.725   1.079  -2.435  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        0.996   0.563  -1.946  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        1.934   0.555  -3.283  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1       -2.147  -0.355  -1.748  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -1.822  -0.777  -0.438  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -0.873  -1.805  -0.245  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -0.272  -2.409  -1.361  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -0.599  -2.001  -2.652  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -1.522  -0.976  -2.843  0.00  0.00    +0.005 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -2.430   2.134  -1.970  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -3.116   0.777  -2.021  0.00  0.00    +0.033 C 
ENDBRANCH  23  30
BRANCH  24  31
ATOM     31  C   LIG    1       -2.465  -0.166   0.697  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1       -2.998   0.334   1.599  0.00  0.00    -0.191 NA
ENDBRANCH  24  31
ENDBRANCH   1  25
TORSDOF 6