REMARK  Name = BDB052934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.220   0.112  -1.604  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1        1.762   0.540  -0.199  0.00  0.00    +0.012 C 
ATOM      3  C   LIG    1        0.425   1.279  -0.214  0.00  0.00    +0.005 C 
ATOM      4  C   LIG    1       -0.695   0.403  -0.811  0.00  0.00    +0.001 C 
ATOM      5  C   LIG    1       -0.224  -0.376  -2.059  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        1.081   0.161  -2.638  0.00  0.00    +0.012 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.421   0.952  -2.063  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1        3.276   1.877  -2.861  0.00  0.00    -0.290 OA
BRANCH   7  14
ATOM      9  C   LIG    1        8.452  -1.036   0.682  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        7.068  -1.224   0.588  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        6.355  -0.396  -0.293  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        6.965   0.590  -1.063  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.942   1.217  -1.820  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        4.731   0.618  -1.515  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1        8.356   0.767  -0.958  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1        5.009  -0.357  -0.583  0.00  0.00    -0.352 N 
ATOM     17  H   LIG    1        4.330  -0.967  -0.151  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        9.081  -0.052  -0.084  0.00  0.00    +0.046 A 
BRANCH   9  20
ATOM     19  C   LIG    1        8.719  -2.761   2.300  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        9.300  -1.751   1.486  0.00  0.00    -0.495 OA
ENDBRANCH   9  20
ENDBRANCH   7  14
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1       -2.012   1.188  -1.069  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -1.877   2.318  -2.093  0.00  0.00    +0.017 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -2.602   1.722   0.240  0.00  0.00    +0.216 C 
ATOM     24  N   LIG    1       -3.036   0.730   1.097  0.00  0.00    -0.315 N 
ATOM     25  H   LIG    1       -3.182  -0.193   0.712  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -2.673   2.916   0.511  0.00  0.00    -0.276 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.740   1.054   2.326  0.00  0.00    +0.108 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.229   1.348   2.091  0.00  0.00    +0.049 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.119   0.208   1.616  0.00  0.00    -0.072 C 
ATOM     30  C   LIG    1       -7.473   0.658   1.101  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1       -8.242  -0.424   0.338  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -8.163  -1.763   1.057  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -6.711  -2.208   1.220  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1       -5.791  -1.099   1.649  0.00  0.00    -0.028 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8