REMARK  Name = BDB024211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.838  -1.619  -0.417  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.653  -3.115  -0.193  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -1.910  -3.682   1.065  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.738  -5.052   1.272  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.313  -5.869   0.227  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.065  -5.321  -1.029  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.236  -3.952  -1.240  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      8  N   LIG    1        0.430  -0.896   0.134  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1        0.226  -1.342   1.018  0.00  0.00    +0.156 HD
ATOM     10  C   LIG    1       -0.497  -0.967  -0.890  0.00  0.00    +0.240 C 
ATOM     11  O   LIG    1       -0.310  -0.555  -2.033  0.00  0.00    -0.273 OA
BRANCH   8  15
ATOM     12  C   LIG    1        4.292   0.642   0.308  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        3.634  -0.003   1.349  0.00  0.00    +0.121 A 
ATOM     14  N   LIG    1        2.371  -0.498   1.277  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        1.715  -0.358   0.107  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1        2.283   0.270  -0.991  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1        3.583   0.772  -0.887  0.00  0.00    +0.013 A 
BRANCH  12  22
ATOM     18  C   LIG    1        8.529   2.420   2.197  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        7.510   1.940   1.295  0.00  0.00    -0.274 N 
ATOM     20  N   LIG    1        7.761   1.900  -0.024  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        6.627   1.423  -0.544  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        5.644   1.151   0.438  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.258   1.503   1.624  0.00  0.00    +0.116 A 
ENDBRANCH  12  22
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  24
ATOM     24  N   LIG    1       -2.946  -1.392  -1.369  0.00  0.00    -0.302 NA
ATOM     25  H   LIG    1       -3.725  -2.000  -1.125  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.400   0.000  -1.441  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.287   0.420  -0.258  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.800   1.831  -0.414  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -6.054   2.071  -0.991  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.522   3.378  -1.149  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.735   4.450  -0.734  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -6.311   6.060  -0.928  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -4.483   4.227  -0.165  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -4.015   2.920  -0.007  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8