REMARK  Name = BDB027948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.133  -1.161  -0.210  0.00  0.00    -0.330 N 
ATOM      2  H   LIG    1       -1.119  -2.061   0.281  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.332  -0.379   0.117  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.172   0.546   1.334  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.644   0.202   2.391  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.733   1.797   1.221  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.624   2.391   2.032  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.728   2.168   0.355  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.367   3.202   0.532  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.063   1.195  -0.750  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.860   0.346  -1.120  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        2.881   0.183  -0.230  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        2.569  -1.157   0.005  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.237  -1.585   0.026  0.00  0.00    +0.144 A 
ATOM     15  C   LIG    1        0.179  -0.662  -0.172  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1        0.516   0.669  -0.434  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        1.852   1.092  -0.453  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        4.590   1.825  -0.428  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.220   0.468  -0.224  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
BRANCH  14  20
ATOM     20  O   LIG    1        0.836  -2.884   0.258  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1        1.859  -3.857   0.421  0.00  0.00    +0.277 C 
ENDBRANCH  14  20
ENDBRANCH   1  15
TORSDOF 4