REMARK  Name = BDB018340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.145  -1.208  -0.408  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -2.664   0.168  -0.346  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -3.977   0.382  -0.144  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -4.929  -0.744   0.017  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -6.121  -0.500   0.179  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -4.372  -2.015  -0.028  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -5.234  -3.176   0.124  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -3.019  -2.220  -0.239  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.824   1.381  -0.443  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.860   2.185  -1.590  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.057   3.324  -1.677  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.215   3.667  -0.620  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -0.173   2.873   0.525  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.974   1.733   0.614  0.00  0.00    +0.008 A 
ENDBRANCH   2   9
BRANCH   1  18
ATOM     15  N   LIG    1        1.303  -2.188  -0.435  0.00  0.00    -0.262 N 
ATOM     16  N   LIG    1        1.321  -1.480  -1.587  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.065  -1.037  -1.701  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1       -0.757  -1.476  -0.642  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        0.071  -2.236   0.153  0.00  0.00    +0.117 A 
BRANCH  15  20
ATOM     20  C   LIG    1        2.533  -2.770   0.064  0.00  0.00    +0.239 C 
BRANCH  20  23
ATOM     21  N   LIG    1        3.798  -0.696  -0.135  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        3.259  -0.594  -0.997  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.407  -1.718   0.709  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        3.767  -1.802   1.881  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.510   0.467   0.350  0.00  0.00    +0.104 C 
BRANCH  25  27
ATOM     26  C   LIG    1        4.285   2.737   1.419  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        3.550   1.498   0.937  0.00  0.00    +0.015 C 
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  20  23
ENDBRANCH  15  20
ENDBRANCH   1  18
TORSDOF 6