REMARK  Name = BDB058017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.686  -1.728  -1.097  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.631  -1.941   0.288  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.404  -2.106   0.936  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.780  -2.052   0.199  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.741  -1.881  -1.188  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.490  -1.720  -1.830  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.972   1.087   0.836  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.404   0.332  -0.174  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.144  -0.224  -0.186  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -4.029  -0.903  -1.391  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -5.275  -0.772  -2.188  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -5.541  -1.224  -3.280  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.955  -1.578  -1.823  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.127   0.042  -1.331  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -7.419   0.483  -1.542  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -8.000   1.256  -0.535  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.285   1.558   0.642  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -5.922   1.588   3.214  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -6.878   1.277   3.313  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -5.377   1.687   4.061  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -5.205   1.405   2.063  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -3.985   1.487   2.068  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1        2.070  -2.244   0.895  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        3.062  -1.273   0.742  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        2.743   0.147   0.530  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1        3.913   0.929  -0.093  0.00  0.00    +0.127 C 
ATOM     27  N   LIG    1        5.162   0.695   0.650  0.00  0.00    -0.297 N 
ATOM     28  C   LIG    1        5.499  -0.725   0.853  0.00  0.00    +0.127 C 
ATOM     29  C   LIG    1        4.317  -1.495   1.464  0.00  0.00    +0.127 C 
ATOM     30  O   LIG    1        2.216  -3.268   1.557  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1        6.237   1.475   0.212  0.00  0.00    +0.221 A 
ATOM     32  N   LIG    1        7.479   1.066   0.477  0.00  0.00    -0.203 NA
ATOM     33  C   LIG    1        8.461   1.867   0.066  0.00  0.00    +0.226 A 
ATOM     34  N   LIG    1        8.316   3.017  -0.577  0.00  0.00    -0.224 NA
ATOM     35  C   LIG    1        7.046   3.336  -0.788  0.00  0.00    +0.226 A 
ATOM     36  N   LIG    1        5.984   2.619  -0.426  0.00  0.00    -0.203 NA
ENDBRANCH  27  31
ENDBRANCH   4  23
TORSDOF 4