REMARK  Name = BDB058185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.546  -0.593   0.467  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1       -0.521  -1.354   0.124  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.720  -0.757   0.015  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.837   0.583   0.265  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.994   1.502   0.142  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -2.449   2.692   0.950  0.00  0.00    +0.105 C 
ATOM      7  N   LIG    1       -0.955   2.686   0.822  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1       -0.427   3.397  -0.364  0.00  0.00    +0.135 C 
ATOM      9  C   LIG    1       -1.121   4.752  -0.534  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -2.542   4.571  -0.657  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -3.069   4.044   0.568  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1       -0.703   1.279   0.624  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        0.502   0.726   0.719  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   3  14
ATOM     14  N   LIG    1       -2.849  -1.482  -0.412  0.00  0.00    -0.308 N 
ATOM     15  C   LIG    1       -3.031  -2.840   0.189  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1       -2.650  -2.945   1.664  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -2.372  -3.928  -0.682  0.00  0.00    +0.182 C 
ATOM     18  O   LIG    1       -2.938  -4.003  -2.006  0.00  0.00    -0.376 OA
ATOM     19  C   LIG    1       -3.541  -2.774  -2.438  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1       -2.817  -1.530  -1.903  0.00  0.00    +0.135 C 
ENDBRANCH   3  14
BRANCH   1  22
ATOM     21  C   LIG    1        3.100  -0.731   0.319  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        1.837  -1.281   0.613  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        1.849  -2.594   1.096  0.00  0.00    +0.125 A 
ATOM     24  N   LIG    1        2.951  -3.353   1.321  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        4.139  -2.805   1.052  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1        4.252  -1.516   0.556  0.00  0.00    +0.052 A 
BRANCH  25  27
ATOM     27  N   LIG    1        5.284  -3.578   1.272  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        5.897  -3.091   1.917  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        5.780  -3.689   0.393  0.00  0.00    +0.144 HD
ENDBRANCH  25  27
BRANCH  21  30
ATOM     30  C   LIG    1        3.310   0.654  -0.263  0.00  0.00    +0.282 C 
BRANCH  30  32
ATOM     31  C   LIG    1        3.337   2.042   1.658  0.00  0.00    +0.197 C 
ATOM     32  O   LIG    1        4.109   1.436   0.630  0.00  0.00    -0.350 OA
ENDBRANCH  30  32
BRANCH  30  33
ATOM     33  O   LIG    1        4.018   0.464  -1.499  0.00  0.00    -0.350 OA
ATOM     34  C   LIG    1        4.175   1.681  -2.213  0.00  0.00    +0.197 C 
ENDBRANCH  30  33
ENDBRANCH  21  30
ENDBRANCH   1  22
TORSDOF 6