REMARK  Name = BDB016984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.216  -0.798  -0.852  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        0.410  -1.787  -1.374  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.778  -1.244  -1.508  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.783   0.049  -1.072  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        0.483   0.356  -0.654  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.575  -0.583   0.768  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.215  -0.366   0.547  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.633  -0.971  -0.558  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.339  -1.750  -1.415  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.658  -1.915  -1.187  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.323  -1.352  -0.118  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.355   0.550   1.846  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.261   0.023   1.925  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.565  -0.103   3.074  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.800  -0.708   3.029  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.924   0.942  -1.089  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.557   1.140   0.303  0.00  0.00    +0.073 C 
ATOM     18  N   LIG    1       -3.161  -0.062   0.892  0.00  0.00    -0.312 NA
ATOM     19  H   LIG    1       -2.587  -0.896   0.765  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.483  -0.223   0.292  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -4.940   1.186  -0.062  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -3.752   2.085   0.252  0.00  0.00    +0.021 C 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 5