REMARK  Name = BDB026880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027   1.202  -0.561  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.726   2.522  -0.865  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.565   2.627  -1.985  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.228   3.822  -2.270  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.064   4.927  -1.437  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.238   4.838  -0.319  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.574   3.644  -0.033  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -0.546   0.611   0.774  0.00  0.00    +0.204 C 
ATOM      9  O   LIG    1        0.052   0.815   1.838  0.00  0.00    -0.288 OA
BRANCH   8  17
ATOM     10  C   LIG    1       -4.453  -1.783  -1.108  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -3.465  -1.224  -0.151  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -3.555  -1.397   1.218  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -2.468  -0.737   1.776  0.00  0.00    +0.076 A 
ATOM     14  C   LIG    1       -2.331  -0.768   3.194  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.244  -1.426   3.933  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.372  -2.109   3.321  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -1.773  -0.187   0.715  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -4.502  -2.080   1.984  0.00  0.00    +0.093 A 
ATOM     19  N   LIG    1       -2.404  -0.509  -0.475  0.00  0.00    -0.229 NA
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  N   LIG    1        1.452   1.405  -0.509  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.660   1.823   0.401  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.175   0.133  -0.624  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.687   0.372  -0.518  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.463  -0.919  -0.631  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.900  -1.376  -1.883  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.601  -2.579  -1.990  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.863  -3.332  -0.848  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        6.724  -4.816  -0.981  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        5.430  -2.893   0.401  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.729  -1.690   0.509  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7