REMARK  Name = BDB027945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.973  -0.306   0.611  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.077  -1.356   0.832  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.301  -1.211   0.605  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.852  -0.019   0.123  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.940   1.015  -0.127  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.441   0.874   0.099  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.208   0.128  -0.100  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        4.204  -0.770   0.505  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1        5.553  -0.045   0.640  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1        6.095   0.422  -0.604  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1        5.090   0.724  -1.581  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1        3.746   1.175  -0.983  0.00  0.00    +0.133 C 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  N   LIG    1       -2.335  -0.553   0.803  0.00  0.00    -0.333 N 
ATOM     14  H   LIG    1       -2.459  -1.191   1.587  0.00  0.00    +0.147 HD
BRANCH  13  21
ATOM     15  O   LIG    1       -6.374  -1.164  -1.460  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.425  -0.748  -0.802  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.475   0.060  -1.367  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.688   0.348  -2.312  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.679   0.936  -0.669  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -3.319   1.996  -1.180  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -3.328   0.533   0.771  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1       -4.623   0.056   1.436  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.246  -1.097   0.656  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3