REMARK  Name = BDB001621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.350   0.703  -0.083  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -2.334  -0.294  -0.096  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1       -3.708  -0.141  -0.213  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -4.278  -1.325  -0.246  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -3.304  -2.278  -0.094  0.00  0.00    -0.136 NA
ATOM      6  C   LIG    1       -2.158  -1.651   0.022  0.00  0.00    +0.233 A 
ATOM      7  O   LIG    1       -1.715   1.878  -0.096  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.352  -0.235   0.072  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        2.866  -0.018   0.043  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        2.266   0.878   0.936  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        0.889   1.107   0.889  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        0.105   0.435  -0.052  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        0.700  -0.431  -0.974  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.077  -0.657  -0.923  0.00  0.00    +0.004 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  N   LIG    1       -4.315   1.056  -0.285  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1       -3.764   1.905  -0.424  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -5.277   1.099  -0.603  0.00  0.00    +0.145 HD
ENDBRANCH   3  15
TORSDOF 2