REMARK  Name = BDB045203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.162   1.404  -1.740  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        0.500   1.350  -0.503  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.719   0.671  -0.377  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        2.275   0.023  -1.487  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        1.620   0.067  -2.717  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.410   0.752  -2.842  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.379   0.630   0.956  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        3.755   0.582   0.946  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        4.246   0.812   0.093  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.711   0.664   1.983  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.495   0.677   2.182  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.961   0.439   1.941  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.458  -0.868   1.833  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        7.812  -1.092   1.581  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.681  -0.013   1.428  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.196   1.290   1.524  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.842   1.517   1.776  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.491   2.123  -1.879  0.00  0.00    +0.151 C 
BRANCH  18  22
ATOM     19  N   LIG    1       -2.871   0.282  -3.412  0.00  0.00    -0.272 NA
ATOM     20  H   LIG    1       -3.416  -0.460  -3.854  0.00  0.00    +0.189 HD
ATOM     21  C   LIG    1       -3.191   0.369  -2.167  0.00  0.00    +0.182 C 
ATOM     22  N   LIG    1       -2.602   1.326  -1.368  0.00  0.00    -0.240 N 
ATOM     23  C   LIG    1       -3.006   1.546  -0.060  0.00  0.00    +0.224 C 
ATOM     24  O   LIG    1       -2.502   2.394   0.680  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1       -4.190   0.746   0.427  0.00  0.00    +0.122 C 
ATOM     26  C   LIG    1       -4.248  -0.655  -0.188  0.00  0.00    +0.042 C 
ATOM     27  C   LIG    1       -3.091  -1.530   0.333  0.00  0.00    +0.032 C 
ATOM     28  N   LIG    1       -4.103  -0.486  -1.633  0.00  0.00    -0.311 N 
ATOM     29  H   LIG    1       -4.279  -1.317  -2.182  0.00  0.00    +0.149 HD
BRANCH  26  30
ATOM     30  C   LIG    1       -5.653  -1.310   0.084  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -6.065  -1.294   1.564  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -5.782  -2.752  -0.433  0.00  0.00    +0.009 C 
ENDBRANCH  26  30
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 6