REMARK  Name = BDB028213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.080   0.299   1.237  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.855   0.643   0.471  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.765   1.935  -0.035  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.637   2.336  -0.758  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.404   1.431  -0.979  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.330   0.121  -0.485  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.877   2.873   0.184  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -2.840   4.022  -0.242  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.953   2.382   0.883  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.731   3.015   1.042  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.812  -0.265   0.237  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -4.065   1.133   1.410  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.397  -0.851  -0.733  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1        2.757  -0.596  -0.683  0.00  0.00    -0.211 N 
ATOM     15  C   LIG    1        3.406  -1.791  -0.965  0.00  0.00    +0.155 A 
ATOM     16  C   LIG    1        4.818  -1.782  -0.971  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        5.465  -0.643  -0.698  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        4.640   0.558  -0.403  0.00  0.00    +0.150 A 
ATOM     19 CL   LIG    1        5.438   2.046  -0.042  0.00  0.00    -0.060 Cl
ATOM     20  N   LIG    1        2.558  -2.770  -1.180  0.00  0.00    -0.234 NA
ATOM     21  N   LIG    1        3.346   0.603  -0.390  0.00  0.00    -0.153 NA
ATOM     22  C   LIG    1        1.320  -2.201  -1.037  0.00  0.00    +0.141 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -3.226  -1.088   1.857  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.588  -2.048   0.812  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -3.799  -2.945   1.250  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.467  -1.741   0.389  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3