REMARK  Name = BDB000965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.191  -0.260   1.033  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        1.240   0.326   0.368  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        1.212   1.258  -0.024  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.297  -0.546   0.353  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.849  -1.626   1.104  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.714  -2.703   1.348  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.019  -2.654   0.840  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.448  -1.560   0.086  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.585  -0.487  -0.191  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.550  -1.438   1.511  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.873  -1.473  -0.648  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -2.684  -0.642  -0.482  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1       -2.336  -0.499   0.950  0.00  0.00    +0.110 C 
ATOM     14  C   LIG    1       -1.128   0.452   1.238  0.00  0.00    +0.137 C 
ATOM     15  N   LIG    1       -1.167   1.754   0.499  0.00  0.00    -0.294 NA
ATOM     16  C   LIG    1       -2.047   2.701   1.189  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -1.610   1.555  -0.900  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1       -2.866   0.680  -1.090  0.00  0.00    +0.099 C 
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1        4.057   0.642  -1.016  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        5.231   0.987  -1.032  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        3.126   1.250  -1.817  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        2.322   0.717  -2.123  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.520   1.889  -2.497  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 2