REMARK  Name = BDB054483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.096  -2.627   0.262  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.736  -3.073   0.700  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -1.520  -2.376   0.532  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.310  -2.916   0.993  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        0.735  -1.989   0.700  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        0.160  -0.896   0.064  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        0.936   0.204  -0.345  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1        2.320   0.202  -0.114  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1        2.902  -0.887   0.515  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.127  -1.983   0.926  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.311  -4.171   1.619  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.529  -4.804   1.744  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -1.198  -1.151  -0.038  0.00  0.00    -0.338 N 
ATOM     14  N   LIG    1       -2.695  -4.293   1.310  0.00  0.00    -0.258 NA
ENDROOT
BRANCH   8  15
ATOM     15  O   LIG    1        2.935   1.330  -0.564  0.00  0.00    -0.486 OA
BRANCH  15  16
ATOM     16  C   LIG    1        4.337   1.618  -0.457  0.00  0.00    +0.102 C 
ATOM     17  C   LIG    1        5.204   0.654  -1.277  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        4.467   3.011  -1.109  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1        4.805   1.758   0.998  0.00  0.00    +0.055 C 
ENDBRANCH  15  16
ENDBRANCH   8  15
BRANCH  13  20
ATOM     20  C   LIG    1       -2.123  -0.223  -0.675  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.655   0.825   0.303  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.674   1.743  -0.373  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.202   2.795   0.603  0.00  0.00    +0.078 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.172   3.668  -0.045  0.00  0.00    -0.330 NA
ATOM     25  H   LIG    1       -5.946   3.116  -0.413  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1       -4.744   4.127  -0.849  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  13  20
TORSDOF 7