REMARK  Name = BDB045201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.529   0.944   1.346  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.162  -0.137   1.962  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.517  -0.394   1.741  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        4.267   0.436   0.900  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        3.628   1.518   0.281  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.269   1.772   0.504  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.201   1.063   1.645  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.556   2.127   1.061  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.043   1.777  -0.346  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -0.962  -1.591  -0.163  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -2.057  -0.611  -0.263  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -2.132   0.764  -0.335  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1       -3.453   1.149  -0.406  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1       -4.126   0.013  -0.370  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1       -3.332  -1.101  -0.283  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -5.569  -0.206  -0.410  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -6.435   0.895  -0.506  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -7.820   0.717  -0.547  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -8.359  -0.567  -0.492  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -7.514  -1.671  -0.397  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.128  -1.492  -0.356  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        5.727   0.145   0.643  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.943  -0.773  -0.498  0.00  0.00    +0.105 A 
ATOM     24  C   LIG    1        5.830  -2.243  -0.372  0.00  0.00    +0.365 A 
ATOM     25  O   LIG    1        5.590  -2.855   0.654  0.00  0.00    -0.243 OA
ATOM     26  O   LIG    1        6.020  -2.791  -1.623  0.00  0.00    -0.334 OA
ATOM     27  N   LIG    1        6.386  -1.741  -2.476  0.00  0.00    -0.184 N 
ATOM     28  H   LIG    1        5.907  -1.734  -3.374  0.00  0.00    +0.211 HD
ATOM     29  C   LIG    1        6.244  -0.578  -1.783  0.00  0.00    +0.230 A 
BRANCH  29  30
ATOM     30  O   LIG    1        6.381   0.605  -2.435  0.00  0.00    -0.492 OA
ATOM     31  H   LIG    1        6.304   1.329  -1.793  0.00  0.00    +0.294 HD
ENDBRANCH  29  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8