REMARK  Name = BDB028418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.258  -0.311   2.228  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -1.334   0.013   1.385  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.071   1.185   1.597  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.726   2.031   2.647  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.484   3.277   2.846  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -3.496   3.519   1.950  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.028   4.375   2.069  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.868   2.709   0.922  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.214   4.049   3.759  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.664   1.711   3.501  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.216   1.596   0.745  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.064   0.538   3.293  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        2.194  -4.114   0.157  0.00  0.00    +0.176 C 
ATOM     14  N   LIG    1        1.561  -3.212   1.090  0.00  0.00    -0.236 N 
ATOM     15  C   LIG    1        1.016  -1.981   0.813  0.00  0.00    +0.221 A 
ATOM     16  C   LIG    1        0.501  -1.528   2.018  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        0.861  -2.527   2.954  0.00  0.00    +0.146 A 
ATOM     18  N   LIG    1        1.523  -3.542   2.397  0.00  0.00    -0.176 NA
BRANCH  15  19
ATOM     19  O   LIG    1        1.045  -1.499  -0.433  0.00  0.00    -0.471 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.577  -0.180  -0.563  0.00  0.00    +0.266 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.954   0.021  -2.010  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        0.981   0.405  -2.945  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        1.318   0.572  -4.290  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.628   0.348  -4.707  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        3.044   0.553  -6.364  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        3.603  -0.045  -3.792  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.266  -0.213  -2.447  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1       -3.666   0.703  -0.408  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.792   0.935  -1.561  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -2.875   1.922  -1.821  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -3.163   0.416  -2.357  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6