REMARK  Name = BDB028424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.267  -3.753   0.819  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.910  -3.280   0.984  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        0.468  -1.974   0.953  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.895  -2.052   1.212  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.157  -3.429   1.372  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.068  -4.179   1.204  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.799  -0.922   1.312  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.899   0.006   0.265  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.761   1.105   0.372  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.527   1.263   1.524  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.428   2.422   1.636  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.431   3.288   0.572  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.054   4.088   0.623  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.700   3.162  -0.568  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.127   2.594   2.628  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.441   0.337   2.570  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.907   2.137  -0.688  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -2.578  -0.754   2.462  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.099   2.020  -1.981  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.749   1.081  -2.894  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -2.728   0.133  -2.527  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -2.251   1.068  -3.782  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.341  -0.819   0.728  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        1.681   0.077   1.754  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1        2.492   1.179   1.465  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        2.964   1.390   0.166  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.650   0.508  -0.878  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1        1.826  -0.588  -0.572  0.00  0.00    +0.015 A 
BRANCH  27  29
ATOM     29  C   LIG    1        3.147   0.748  -2.283  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        3.894  -0.339  -3.020  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        4.629   0.878  -2.547  0.00  0.00    +0.009 C 
ENDBRANCH  27  29
BRANCH  24  32
ATOM     32  C   LIG    1        1.226  -0.107   3.104  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        0.874  -0.237   4.202  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   3  23
TORSDOF 6