REMARK  Name = BDB000982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.572  -0.992   0.869  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1        0.976   0.141   0.210  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        0.399   0.718  -0.394  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.302   0.350   0.491  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.643  -0.705   1.328  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.957  -0.805   1.806  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.892   0.161   1.414  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.524   1.216   0.571  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.207   1.344   0.096  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        1.562  -1.521   1.558  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.023  -0.246  -0.389  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1       -1.496  -1.622  -0.623  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1       -0.894  -1.585   0.810  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -1.038  -2.879   1.599  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -2.003  -0.528   1.075  0.00  0.00    +0.100 C 
BRANCH  11  17
ATOM     16  C   LIG    1       -3.393  -0.092  -2.427  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -3.400  -0.103  -0.893  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.001   1.217  -0.394  0.00  0.00    +0.024 C 
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   9  19
ATOM     19  C   LIG    1        2.750   2.439  -0.794  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.677   2.378  -1.384  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        3.545   3.545  -0.908  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        4.279   3.757  -0.249  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.149   4.321  -1.424  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3