REMARK  Name = BDB027074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.087   1.374   0.045  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.733   2.085   1.231  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.696   3.095   1.077  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.255   3.723   2.194  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.849   3.364   3.477  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.875   2.385   3.647  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.316   1.756   2.534  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.188   2.071  -0.275  0.00  0.00    -0.300 NA
ATOM      9  H   LIG    1       -0.037   2.781  -0.981  0.00  0.00    +0.123 HD
BRANCH   8  11
ATOM     10  C   LIG    1        0.952   0.433  -2.022  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        1.297   1.231  -0.760  0.00  0.00    +0.056 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.861   0.335   0.371  0.00  0.00    +0.053 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.197  -0.295   0.046  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        3.284  -1.654  -0.285  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.519  -2.233  -0.594  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        5.683  -1.457  -0.569  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.599  -0.097  -0.253  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.365   0.479   0.057  0.00  0.00    +0.004 A 
BRANCH  16  19
ATOM     19  C   LIG    1        7.019  -2.025  -0.892  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        7.953  -1.318  -1.249  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        7.186  -3.374  -0.736  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        8.137  -3.708  -0.830  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        6.557  -3.925  -0.171  0.00  0.00    +0.145 HD
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -1.999   1.337  -1.207  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -1.896   2.225  -2.064  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.963   0.242  -1.401  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -3.439  -0.800  -0.528  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -4.338  -1.581  -1.267  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -4.997  -2.701  -0.743  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -4.747  -3.045   0.585  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.873  -2.291   1.358  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1       -4.426  -1.032  -2.522  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1       -5.013  -1.387  -3.265  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1       -3.221  -1.175   0.817  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -3.615   0.059  -2.612  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8