REMARK  Name = BDB026861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.166   0.776  -0.124  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.418   2.075  -0.669  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.884   3.108   0.159  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.405   4.283  -0.391  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.453   4.450  -1.773  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.970   3.447  -2.609  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.451   2.273  -2.062  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.304   0.792   2.287  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.344   0.426   1.297  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.576  -0.356   1.478  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.628  -0.735   0.569  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.545  -1.505   1.295  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.703  -2.058   0.732  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.951  -1.818  -0.619  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.075  -1.048  -1.373  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.089  -1.581   2.588  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.561  -2.072   3.335  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.921  -0.504  -0.794  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.920  -0.891   2.711  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        1.652   0.893  -0.125  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.897   1.477   0.680  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.307  -0.413   0.009  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.834  -0.248   0.044  0.00  0.00    +0.053 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.537  -1.556   0.177  0.00  0.00    -0.009 A 
ATOM     25  C   LIG    1        5.086  -2.336  -0.818  0.00  0.00    +0.108 A 
ATOM     26  N   LIG    1        5.615  -3.432  -0.200  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1        6.102  -4.217  -0.620  0.00  0.00    +0.188 HD
ATOM     28  N   LIG    1        5.443  -3.427   1.131  0.00  0.00    -0.182 NA
ATOM     29  C   LIG    1        4.795  -2.283   1.362  0.00  0.00    +0.137 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7