REMARK  Name = BDB028357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.353  -4.392   1.743  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.352  -3.888   0.830  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        0.221  -2.599   0.359  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.856  -2.645  -0.519  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.287  -3.989  -0.491  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.572  -4.739   0.347  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.365  -1.529  -1.296  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.663  -0.303  -0.680  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.125   0.779  -1.439  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.334   0.616  -2.806  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.878   1.738  -3.588  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.162   2.883  -2.884  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.537   3.668  -3.407  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -2.930   3.088  -1.560  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.077   1.641  -4.793  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.051  -0.604  -3.429  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.422   2.114  -0.862  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.562  -1.672  -2.674  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.143   2.389   0.615  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.348   2.114   1.401  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -4.083   2.749   1.079  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.694   1.176   1.206  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.105  -1.494   0.737  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        2.042  -0.941  -0.151  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1        2.830   0.149   0.254  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        2.704   0.720   1.531  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        1.773   0.142   2.407  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        0.983  -0.944   2.020  0.00  0.00    +0.011 A 
BRANCH  26  29
ATOM     29  C   LIG    1        3.557   1.891   1.954  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        3.559   3.160   1.134  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        2.906   3.149   2.482  0.00  0.00    +0.009 C 
ENDBRANCH  26  29
BRANCH  24  32
ATOM     32  C   LIG    1        2.230  -1.463  -1.476  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        2.399  -1.870  -2.550  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   3  23
TORSDOF 6