REMARK  Name = BDB016283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.484   2.293  -0.819  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.812   0.827  -1.099  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -2.053  -0.084  -0.320  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.173  -0.117   1.040  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -3.281   0.288   1.802  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -3.206   0.197   3.206  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.080  -0.310   3.848  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.998  -0.738   3.093  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -4.507   0.790   1.331  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -5.173   1.103   2.028  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -5.016   0.933   0.085  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -6.142   1.426  -0.035  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.024  -0.650   1.691  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.271   0.443  -1.112  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.166  -1.098   0.940  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        1.004  -0.159   0.308  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.141  -0.598  -0.396  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.182   0.008  -1.136  0.00  0.00    +0.074 A 
ATOM     19  N   LIG    1        4.050  -0.874  -1.636  0.00  0.00    -0.175 NA
ATOM     20  N   LIG    1        3.572  -2.057  -1.202  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1        4.265  -3.272  -1.555  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        2.423  -1.960  -0.454  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        1.613  -2.921   0.163  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        0.486  -2.462   0.858  0.00  0.00    +0.011 A 
BRANCH  18  25
ATOM     25  C   LIG    1        3.306   1.536  -1.379  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1        3.620   2.444  -0.217  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        4.658   2.194  -1.272  0.00  0.00    +0.010 C 
ENDBRANCH  18  25
ENDBRANCH  13  15
TORSDOF 2