REMARK  Name = BDB064841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.286  -1.013  -0.614  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -1.307  -0.912  -1.616  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.037  -1.468  -1.428  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        0.264  -2.124  -0.231  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.701  -2.250   0.768  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.965  -1.685   0.578  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.805   0.815   0.204  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -5.606   0.341  -0.359  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -5.477   0.342  -1.746  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -4.226  -0.173  -1.974  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -3.822  -0.352  -2.881  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -3.626  -0.441  -0.766  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -6.476   0.786  -2.617  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -7.660   1.254  -2.038  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -4.448  -0.130   0.218  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -7.828   1.270  -0.651  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -7.595   1.932   2.193  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -7.622   2.800   1.679  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.594   1.985   3.204  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -7.000   0.814   1.667  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -6.669  -0.116   2.387  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1        1.596  -2.730  -0.023  0.00  0.00    +0.247 C 
ATOM     23  N   LIG    1        2.716  -1.907  -0.064  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1        4.034  -2.535   0.040  0.00  0.00    +0.127 C 
ATOM     25  C   LIG    1        5.162  -1.621  -0.448  0.00  0.00    +0.127 C 
ATOM     26  N   LIG    1        5.173  -0.329   0.244  0.00  0.00    -0.292 N 
ATOM     27  C   LIG    1        6.382   0.373   0.310  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        7.351  -0.015  -0.347  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        3.880   0.170   0.727  0.00  0.00    +0.127 C 
ATOM     30  C   LIG    1        2.679  -0.440  -0.016  0.00  0.00    +0.127 C 
ATOM     31  O   LIG    1        1.653  -3.941   0.168  0.00  0.00    -0.270 OA
BRANCH  27  32
ATOM     32  C   LIG    1        6.487   1.556   1.153  0.00  0.00    +0.189 A 
ATOM     33  O   LIG    1        5.586   1.808   2.155  0.00  0.00    -0.458 OA
ATOM     34  C   LIG    1        5.975   2.949   2.779  0.00  0.00    +0.196 A 
ATOM     35  C   LIG    1        7.125   3.440   2.211  0.00  0.00    +0.042 A 
ATOM     36  C   LIG    1        7.462   2.540   1.173  0.00  0.00    +0.054 A 
ENDBRANCH  27  32
ENDBRANCH   4  22
TORSDOF 4