REMARK  Name = BDB046922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207  -0.748  -0.505  0.00  0.00    +0.117 A 
ATOM      2  C   LIG    1       -1.208   0.093  -0.000  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -2.518  -0.385  -0.123  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -3.610   0.452   0.404  0.00  0.00    +0.259 A 
ATOM      5  N   LIG    1       -3.233   1.640   0.968  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1       -3.974   2.224   1.330  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -1.935   2.050   1.017  0.00  0.00    +0.199 A 
ATOM      8  O   LIG    1       -4.784   0.107   0.335  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -2.811  -1.608  -0.725  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -1.755  -2.343  -1.213  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.947   1.363   0.566  0.00  0.00    -0.235 NA
ATOM     12  N   LIG    1       -0.472  -1.943  -1.125  0.00  0.00    -0.251 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        4.027   0.868   1.227  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        3.107   0.253   0.302  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        1.809   0.164   0.631  0.00  0.00    -0.170 NA
ATOM     16  C   LIG    1        1.227  -0.427  -0.429  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        2.210  -0.746  -1.411  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        3.404  -0.285  -0.911  0.00  0.00    +0.108 A 
ENDBRANCH   1  16
TORSDOF 1