REMARK  Name = BDB012813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575   1.839  -0.274  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.192   1.285   0.927  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.483   0.883   0.383  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.425   0.289   1.211  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.166   0.062   2.391  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.446   0.854  -1.075  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.030   0.993  -1.429  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.672   4.437  -0.213  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -4.026   3.089  -0.099  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.681   3.034  -0.226  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.072   1.829  -0.128  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.792   0.657   0.091  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.185   0.710   0.224  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.803   1.960   0.126  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.972  -0.511   0.459  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -4.888  -1.604  -0.420  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -5.637  -2.767  -0.198  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -6.481  -2.849   0.913  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -6.576  -1.774   1.794  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.828  -0.616   1.567  0.00  0.00    +0.008 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.538  -3.869  -1.109  0.00  0.00    +0.099 C 
ATOM     22  N   LIG    1       -5.454  -4.759  -1.849  0.00  0.00    -0.191 NA
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  23
ATOM     23  C   LIG    1        3.700  -0.057   0.638  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1        4.404   0.686  -0.266  0.00  0.00    -0.272 N 
ATOM     25  H   LIG    1        4.153   1.587  -0.656  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        5.565   0.133  -0.650  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        5.661  -0.972   0.102  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        4.528  -1.122   0.935  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.856  -1.876   0.011  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1        8.144  -1.159   0.421  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1        7.000  -2.490  -1.383  0.00  0.00    +0.014 C 
ENDBRANCH  27  29
ENDBRANCH   4  23
TORSDOF 5