REMARK  Name = BDB001317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.494  -1.240   0.955  0.00  0.00    +0.000 C 
ATOM      2  C   LIG    1        2.641  -2.536   1.696  0.00  0.00    +0.186 C 
ATOM      3  O   LIG    1        3.739  -2.992   1.993  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        1.408  -3.267   2.077  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1        0.204  -2.775   1.764  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.072  -1.522   1.048  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -1.147  -1.066   0.730  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -2.346  -1.799   1.078  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -2.236  -3.041   1.892  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1       -3.210  -3.647   2.331  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1       -3.576  -1.397   0.706  0.00  0.00    +0.229 A 
ATOM     12  O   LIG    1       -3.789  -0.185   0.012  0.00  0.00    -0.420 OA
ATOM     13  C   LIG    1       -5.187  -0.013  -0.068  0.00  0.00    +0.226 A 
ATOM     14  C   LIG    1       -5.749   0.970  -0.793  0.00  0.00    +0.083 C 
ATOM     15  C   LIG    1       -7.248   1.002  -0.903  0.00  0.00    +0.191 C 
ATOM     16  O   LIG    1       -7.989   0.137  -0.446  0.00  0.00    -0.287 OA
ATOM     17  C   LIG    1       -7.826   2.153  -1.647  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.032   3.062  -2.228  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -5.592   2.975  -2.166  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -4.983   1.991  -1.490  0.00  0.00    +0.017 C 
ATOM     21  N   LIG    1       -5.774  -1.043   0.647  0.00  0.00    -0.266 N 
ATOM     22  H   LIG    1       -6.705  -1.319   0.315  0.00  0.00    +0.190 HD
ATOM     23  N   LIG    1       -4.817  -1.965   0.939  0.00  0.00    -0.266 N 
ATOM     24  H   LIG    1       -4.881  -2.547   1.781  0.00  0.00    +0.190 HD
ATOM     25  O   LIG    1       -0.964  -3.471   2.150  0.00  0.00    -0.422 OA
ATOM     26  C   LIG    1        1.263  -0.778   0.672  0.00  0.00    +0.019 C 
ENDROOT
BRANCH   1  27
ATOM     27  C   LIG    1        3.757  -0.502   0.599  0.00  0.00    +0.039 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.430  -1.085  -0.646  0.00  0.00    +0.005 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.801  -0.474  -0.962  0.00  0.00    +0.000 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.772   1.017  -1.312  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.087   3.387  -0.513  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        6.130   1.916  -0.126  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5