REMARK  Name = BDB026954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.547   1.043   0.708  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.410   2.300   0.734  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.865   2.915  -0.445  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.643   4.073  -0.388  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.970   4.638   0.844  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.517   4.047   2.022  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.740   2.889   1.968  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.901   1.336   0.868  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        1.042   1.803   1.761  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.511   2.147  -0.189  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.991   2.458   0.119  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.717  -0.870   0.709  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.693  -0.969  -0.235  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.804   0.099  -0.430  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        3.917   1.275   0.322  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        4.960   1.371   1.257  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        5.845   0.306   1.451  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.545  -3.056   0.275  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.644  -1.835   1.000  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -0.871   0.070  -0.467  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.166  -0.003  -1.477  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.090  -0.759  -0.363  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.546  -1.753  -1.300  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.744  -2.288  -0.815  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -4.471  -3.294  -1.484  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1       -3.933  -3.747  -2.703  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.743  -3.237  -3.215  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.765  -3.876  -0.991  0.00  0.00    +0.046 C 
ATOM     29  N   LIG    1       -4.010  -1.642   0.371  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -4.820  -1.821   0.949  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -2.043  -2.245  -2.525  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.031  -0.727   0.653  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8