REMARK  Name = BDB055580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.213   0.719  -0.123  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -2.424   0.690  -0.762  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -2.650   1.194  -1.858  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1       -3.450  -0.078   0.131  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1       -2.563  -0.403   1.233  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -2.846  -0.857   2.088  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -1.287   0.062   1.062  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1       -0.392  -0.112   1.871  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.595   0.783   0.684  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -4.745   2.146   0.375  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -5.797   2.894   0.913  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.717   2.297   1.771  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.589   0.950   2.092  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.540   0.201   1.557  0.00  0.00    +0.006 A 
ENDBRANCH   4   9
BRANCH   4  15
ATOM     15  C   LIG    1       -3.942  -1.327  -0.617  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -4.838  -1.186  -1.695  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -5.302  -2.299  -2.399  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.877  -3.575  -2.044  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.985  -3.739  -0.988  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.518  -2.627  -0.282  0.00  0.00    +0.006 A 
ENDBRANCH   4  15
BRANCH   1  21
ATOM     21  C   LIG    1       -0.003   1.304  -0.664  0.00  0.00    +0.118 C 
BRANCH  21  22
ATOM     22  C   LIG    1        0.781   0.284  -1.491  0.00  0.00    +0.019 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.025   0.871  -2.163  0.00  0.00    +0.002 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.069   1.475  -1.218  0.00  0.00    +0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.612   0.478  -0.192  0.00  0.00    +0.000 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.734   1.101   0.642  0.00  0.00    -0.000 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.236   0.189   1.765  0.00  0.00    -0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.816  -1.157   1.319  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1        8.182  -0.324   0.848  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        6.973  -1.081   0.319  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11