REMARK  Name = BDB045919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.528   0.585  -0.241  0.00  0.00    +0.235 C 
ATOM      2  N   LIG    1        0.378  -0.148  -0.420  0.00  0.00    -0.269 N 
ATOM      3  H   LIG    1        0.428  -1.057  -0.862  0.00  0.00    +0.156 HD
ATOM      4  O   LIG    1        1.597   1.709   0.252  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.933   0.195  -0.090  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -1.828  -0.765  -0.415  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1       -3.124  -0.538  -0.141  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1       -3.577   0.633   0.443  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -2.648   1.611   0.777  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.301   1.390   0.509  0.00  0.00    +0.044 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.024  -1.534  -0.511  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.485  -2.316  -0.872  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -4.620  -1.808   0.262  0.00  0.00    +0.144 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  15
ATOM     14  C   LIG    1        3.118  -1.347   0.141  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        2.793  -0.151  -0.745  0.00  0.00    +0.135 C 
BRANCH  15  16
ATOM     16  N   LIG    1        3.946   0.772  -0.761  0.00  0.00    -0.320 NA
ATOM     17  H   LIG    1        4.048   1.154   0.184  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        3.682   1.592  -1.313  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4