REMARK  Name = BDB012892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.214   0.615   0.446  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1        0.554  -0.771   0.526  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.851  -0.536   0.211  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.753  -1.583   0.253  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.361  -2.732   0.462  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.051   0.821  -0.268  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        0.350   1.323  -0.601  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.156  -1.331   0.029  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -4.005  -2.370  -0.257  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -3.753  -3.352  -0.331  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -5.280  -2.007  -0.461  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -5.279  -0.689  -0.239  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -3.979  -0.223   0.079  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.543   0.117  -0.328  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -7.577  -0.331   0.707  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -7.141   0.084  -1.736  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  17
ATOM     17  N   LIG    1        2.666   0.570   0.223  0.00  0.00    -0.293 N 
ATOM     18  C   LIG    1        3.442   0.303   1.362  0.00  0.00    +0.247 C 
ATOM     19  O   LIG    1        2.964   0.135   2.482  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.908   0.205   1.232  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        5.671   1.349   0.985  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        7.057   1.240   0.879  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        7.674  -0.003   1.037  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.909  -1.139   1.311  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.522  -1.037   1.417  0.00  0.00    +0.013 A 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     26  C   LIG    1        3.451   1.754  -1.826  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        3.188   0.419  -1.144  0.00  0.00    +0.105 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 5