REMARK  Name = BDB016232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.392  -1.974  -0.588  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -2.435  -0.608  -0.215  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.375   0.253  -0.547  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -0.237  -0.223  -1.212  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -0.181  -1.578  -1.551  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.237  -2.439  -1.234  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.874   0.686  -1.549  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        2.038   0.825  -0.720  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.039   0.037   0.576  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        3.031   0.429   1.667  0.00  0.00    -0.001 C 
ATOM     11  C   LIG    1        4.443   0.135   1.192  0.00  0.00    +0.099 C 
ATOM     12  C   LIG    1        5.011   1.301   0.446  0.00  0.00    +0.217 C 
ATOM     13  N   LIG    1        4.324   1.896  -0.560  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        4.905   2.611  -0.983  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        6.145   1.716   0.700  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        2.732  -0.362   2.946  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        3.072   1.675  -1.160  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.896   2.417  -2.347  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.751   2.302  -3.127  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        0.752   1.430  -2.735  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.773  -3.928  -1.118  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1       -3.412  -2.868  -0.192  0.00  0.00    -0.346 N 
ATOM     23  H   LIG    1       -4.241  -2.300   0.061  0.00  0.00    +0.146 HD
ENDBRANCH   1  22
BRANCH   2  24
ATOM     24  C   LIG    1       -3.613  -0.045   0.508  0.00  0.00    +0.044 C 
ATOM     25  N   LIG    1       -4.792  -0.583   0.439  0.00  0.00    -0.303 NA
ATOM     26  H   LIG    1       -5.460  -0.038   0.996  0.00  0.00    +0.186 HD
BRANCH  24  27
ATOM     27  C   LIG    1       -3.468   1.187   1.332  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -3.970   1.206   2.760  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.497   1.224   2.491  0.00  0.00    +0.010 C 
ENDBRANCH  24  27
ENDBRANCH   2  24
TORSDOF 4