REMARK  Name = BDB064673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.073   1.139  -1.099  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.324   1.169  -0.659  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.630   0.423   0.501  0.00  0.00    +0.237 C 
ATOM      4  O   LIG    1       -0.767   0.177   1.343  0.00  0.00    -0.274 OA
ATOM      5  C   LIG    1       -1.696   2.582  -0.552  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -0.365   3.362  -0.441  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1        0.720   2.288  -0.337  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        2.050  -0.315  -0.759  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1        2.430   0.439  -0.204  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        0.711  -0.267  -1.081  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1        0.077  -1.270  -1.415  0.00  0.00    -0.274 OA
BRANCH   8  12
ATOM     12  C   LIG    1        2.701  -1.596  -0.619  0.00  0.00    +0.139 C 
BRANCH  12  16
ATOM     13  C   LIG    1        6.904  -1.004   0.151  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        6.024  -1.229   1.211  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        4.663  -1.429   0.963  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        4.171  -1.413  -0.350  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        5.061  -1.177  -1.407  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        6.421  -0.977  -1.158  0.00  0.00    +0.017 A 
BRANCH  13  20
ATOM     19  C   LIG    1        9.465  -0.626   0.621  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.296  -0.798   0.407  0.00  0.00    -0.070 C 
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   6  21
ATOM     21  O   LIG    1       -0.147   4.123  -1.628  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1        0.618   4.704  -1.469  0.00  0.00    +0.210 HD
ENDBRANCH   6  21
BRANCH   3  23
ATOM     23  C   LIG    1       -3.144   0.083   0.676  0.00  0.00    +0.164 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.728  -0.117  -0.659  0.00  0.00    -0.304 N 
ATOM     25  H   LIG    1       -3.217  -0.744  -1.272  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -4.528   0.830  -1.252  0.00  0.00    +0.211 C 
ATOM     27  O   LIG    1       -4.920   1.845  -0.685  0.00  0.00    -0.276 OA
ATOM     28  C   LIG    1       -4.875   0.528  -2.684  0.00  0.00    +0.109 C 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -3.444  -1.137   1.608  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1       -2.720  -2.413   1.139  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -4.965  -1.421   1.616  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -3.040  -0.832   3.066  0.00  0.00    +0.013 C 
ENDBRANCH  23  29
ENDBRANCH   3  23
TORSDOF 8