REMARK  Name = BDB028303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.776   0.109  -1.125  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.429  -0.381   0.024  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.654  -1.058  -0.072  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -4.243  -1.233  -1.319  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.546  -1.912  -1.411  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.100  -2.320  -0.222  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.000  -2.788  -0.266  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.541  -2.185   1.011  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -6.098  -2.093  -2.490  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.614  -0.759  -2.473  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.381  -1.603   1.103  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.388  -0.098  -2.373  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.815   0.964  -0.211  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        0.591   0.285  -0.302  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -0.492   0.818  -1.019  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -0.279   2.054  -1.631  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        0.880   2.749  -1.585  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        1.892   2.186  -0.883  0.00  0.00    +0.134 A 
BRANCH  13  20
ATOM     19  C   LIG    1        2.607   0.259   1.943  0.00  0.00    +0.135 C 
ATOM     20  N   LIG    1        2.906   0.414   0.513  0.00  0.00    -0.302 N 
BRANCH  20  21
ATOM     21  C   LIG    1        4.267   0.579   0.150  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        5.292   0.843   1.073  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.623   0.990   0.663  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.961   0.869  -0.680  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.969   0.598  -1.615  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.641   0.453  -1.202  0.00  0.00    +0.023 A 
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  27
ATOM     27  C   LIG    1       -3.770  -1.490   2.497  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.958  -0.127   2.998  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -4.961   0.073   3.009  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -3.667  -0.092   3.975  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5