REMARK  Name = BDB012788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.742  -2.367   0.127  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.406  -2.507   0.459  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.312  -1.563   0.265  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1       -0.983  -2.387   0.458  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -0.499  -3.490   1.411  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1        0.897  -3.792   0.895  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        3.495  -3.340   0.200  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -2.146  -1.583   0.864  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -2.543  -0.560  -0.012  0.00  0.00    +0.255 A 
ATOM     10  O   LIG    1       -1.949  -0.309  -1.060  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -3.746   0.261   0.386  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.399  -0.079   1.510  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.973  -1.182   2.325  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -2.888  -1.888   1.992  0.00  0.00    +0.089 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.127   1.395  -0.549  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -3.233   2.615  -0.302  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.601   1.815  -0.474  0.00  0.00    +0.012 C 
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   1  22
ATOM     18  C   LIG    1        3.866   0.978  -0.903  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1        4.936   0.217  -1.153  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1        4.551  -1.012  -0.776  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1        5.209  -1.782  -0.859  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1        3.264  -1.091  -0.306  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        2.803   0.209  -0.365  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.069   2.750  -2.670  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1        3.876   2.454  -1.181  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1        4.930   3.183  -0.345  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 4