REMARK  Name = BDB058018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.671   0.406  -0.370  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.457   0.481   0.322  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.067   1.728   0.684  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.628   2.903   0.384  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.827   2.834  -0.321  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.340   1.592  -0.705  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -6.827  -1.036   0.554  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.578  -1.365   0.057  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.454  -0.569   0.051  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -3.451  -1.313  -0.555  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -3.954  -2.653  -0.949  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -3.366  -3.562  -1.491  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.190  -0.910  -0.757  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -5.348  -2.614  -0.524  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -6.327  -3.581  -0.642  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -7.593  -3.264  -0.150  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.840  -2.008   0.439  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -6.145   1.154   1.410  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -6.374   2.015   1.889  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -5.170   0.950   1.232  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -7.158   0.267   1.186  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -8.307   0.542   1.508  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   3  23
ATOM     23  C   LIG    1        1.331   1.827   1.447  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        2.472   1.218   0.939  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        2.627   0.764  -0.452  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1        4.078   0.859  -0.963  0.00  0.00    +0.127 C 
ATOM     27  N   LIG    1        4.985   0.148  -0.066  0.00  0.00    -0.297 N 
ATOM     28  C   LIG    1        4.719   0.181   1.374  0.00  0.00    +0.127 C 
ATOM     29  C   LIG    1        3.696   1.269   1.744  0.00  0.00    +0.127 C 
ATOM     30  O   LIG    1        1.311   2.450   2.506  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1        6.273  -0.091  -0.494  0.00  0.00    +0.218 A 
ATOM     32  N   LIG    1        7.152  -0.633   0.366  0.00  0.00    -0.223 NA
ATOM     33  C   LIG    1        8.400  -0.876  -0.079  0.00  0.00    +0.116 A 
ATOM     34  C   LIG    1        8.816  -0.604  -1.355  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        7.859  -0.056  -2.167  0.00  0.00    +0.116 A 
ATOM     36  N   LIG    1        6.600   0.205  -1.764  0.00  0.00    -0.223 NA
ENDBRANCH  27  31
ENDBRANCH   3  23
TORSDOF 4