REMARK  Name = BDB016212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.548  -1.376  -0.146  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -2.033  -0.095  -0.447  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.747   0.070  -0.992  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.093  -1.029  -1.195  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -0.382  -2.295  -0.836  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.672  -2.460  -0.311  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.446  -0.857  -1.751  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        2.529  -0.287  -1.011  0.00  0.00    +0.060 A 
ATOM      9  N   LIG    1        2.260   0.131   0.309  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1        1.470  -0.379   0.702  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1        3.349   0.290   1.260  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        4.114   1.549   0.917  0.00  0.00    +0.118 C 
ATOM     13  C   LIG    1        5.185   1.242  -0.078  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.925   0.522  -1.196  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        5.744   0.490  -1.794  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        6.328   1.684   0.075  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        2.744   0.411   2.662  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        3.756  -0.102  -1.683  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1        3.857  -0.596  -2.993  0.00  0.00    +0.135 A 
ATOM     20  N   LIG    1        2.869  -1.190  -3.692  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1        1.686  -1.285  -3.059  0.00  0.00    +0.121 A 
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1       -4.468  -2.845   0.388  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1       -3.835  -1.536   0.394  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1       -4.465  -0.814   0.042  0.00  0.00    +0.146 HD
ENDBRANCH   1  23
BRANCH   2  25
ATOM     25  C   LIG    1       -2.802   1.152  -0.214  0.00  0.00    +0.044 C 
ATOM     26  N   LIG    1       -2.922   2.030  -1.157  0.00  0.00    -0.303 NA
ATOM     27  H   LIG    1       -3.471   2.835  -0.847  0.00  0.00    +0.186 HD
BRANCH  25  28
ATOM     28  C   LIG    1       -3.400   1.386   1.133  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -3.607   2.772   1.697  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -4.793   1.952   1.272  0.00  0.00    +0.010 C 
ENDBRANCH  25  28
ENDBRANCH   2  25
TORSDOF 4