REMARK  Name = BDB027059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.648  -0.440  -0.249  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.886   0.468  -1.451  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.723   1.862  -1.404  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.962   2.650  -2.532  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.369   2.059  -3.725  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.538   0.679  -3.792  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.298  -0.111  -2.666  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.090   0.174   0.889  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.046  -0.415   1.714  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.534   0.297   0.637  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.316  -1.007   0.862  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        6.533  -0.407   0.188  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        5.699  -0.756  -0.880  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.334  -0.950  -0.658  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.796  -0.812   0.630  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        4.644  -0.475   1.695  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.009  -0.282   1.477  0.00  0.00    +0.015 A 
BRANCH  12  19
ATOM     18  O   LIG    1        8.830  -0.584   0.778  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        7.985  -0.193  -0.007  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1        8.266   0.521  -1.118  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        7.486   0.912  -1.554  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  22
ATOM     22  C   LIG    1       -1.964  -1.095   0.253  0.00  0.00    +0.186 C 
ATOM     23  O   LIG    1       -2.060  -2.327   0.203  0.00  0.00    -0.290 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -3.069  -0.288   0.794  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -4.404  -0.741   1.085  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.124   0.346   1.583  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -6.469   0.260   1.965  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -7.102  -0.979   1.835  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.416  -2.085   1.343  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -4.269   1.420   1.604  0.00  0.00    -0.360 N 
ATOM     31  H   LIG    1       -4.521   2.346   1.921  0.00  0.00    +0.165 HD
ATOM     32  C   LIG    1       -5.072  -1.979   0.965  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1       -3.034   1.050   1.145  0.00  0.00    +0.095 A 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 9