REMARK  Name = BDB026421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.701  -0.650   0.175  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.452  -0.035   0.101  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.845   0.490   1.020  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.017  -0.135  -1.222  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.879  -1.029  -1.967  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.162  -1.027  -1.145  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.572  -0.559   1.326  0.00  0.00    +0.146 C 
BRANCH   7  11
ATOM      8  C   LIG    1        6.367   2.619   1.012  0.00  0.00    +0.214 A 
ATOM      9  N   LIG    1        6.803   1.357   0.810  0.00  0.00    -0.221 NA
ATOM     10  C   LIG    1        5.881   0.374   0.927  0.00  0.00    +0.119 A 
ATOM     11  C   LIG    1        4.541   0.586   1.233  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1        4.129   1.907   1.429  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        5.055   2.941   1.320  0.00  0.00    +0.067 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.571   3.274   0.583  0.00  0.00    +0.279 C 
ATOM     15  O   LIG    1        7.247   3.679   0.914  0.00  0.00    -0.480 OA
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -0.353   0.145  -1.621  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.326  -0.998  -1.288  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.134  -2.087  -2.208  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.980  -2.581  -2.171  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.792  -0.521  -1.408  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.733  -1.662  -1.292  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.923  -2.095   0.110  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.803  -1.191   0.948  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.740  -0.331   0.345  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.568   0.467   1.146  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.482   0.398   2.535  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.566  -0.463   3.136  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.808  -0.215  -1.156  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -4.733  -1.257   2.347  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.053  -1.345  -1.871  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8