REMARK  Name = BDB000978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203  -0.907  -0.784  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.104  -0.199  -0.026  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.959   0.115   0.927  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.204   0.070  -0.800  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.903  -0.503  -2.028  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.828  -0.401  -3.077  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.026   0.289  -2.854  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.306   0.859  -1.607  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.399   0.752  -0.537  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.670  -1.107  -2.002  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -1.773  -0.319   0.616  0.00  0.00    -0.293 NA
ATOM     12  C   LIG    1       -1.124  -1.365  -0.227  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -0.865  -2.668   0.562  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -2.124  -3.195   1.229  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -2.741  -2.103   2.083  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -2.997  -0.846   1.255  0.00  0.00    +0.085 C 
BRANCH  11  17
ATOM     17  C   LIG    1       -2.111   0.875  -0.201  0.00  0.00    +0.085 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.655   3.339  -0.207  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -2.460   2.099   0.656  0.00  0.00    +0.012 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        3.634   1.324   0.811  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        2.728   1.410   1.634  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        4.903   1.719   1.130  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        5.052   1.993   2.093  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        5.713   1.428   0.603  0.00  0.00    +0.145 HD
ENDBRANCH   9  20
TORSDOF 4