REMARK  Name = BDB012445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.964   0.703  -0.164  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.039  -0.134   0.596  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.263   0.241  -0.131  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1       -1.028   1.055  -1.194  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -2.260   1.252  -1.783  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -3.226   0.593  -1.124  0.00  0.00    -0.169 NA
ATOM      7  N   LIG    1       -2.600   0.006  -0.064  0.00  0.00    -0.216 N 
ATOM      8  C   LIG    1        0.360   1.371  -1.274  0.00  0.00    +0.255 C 
ATOM      9  O   LIG    1        0.854   2.091  -2.124  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        4.561  -0.152   3.173  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        4.061   0.357   1.858  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.078   0.966   0.946  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        6.260   1.000   1.279  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        4.580   1.473  -0.248  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        5.499   2.092  -1.194  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.241   1.385  -0.600  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        2.312   0.814   0.191  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.774   0.307   1.476  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1        0.268  -1.625   0.508  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1        0.406  -2.389   1.681  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.687  -3.757   1.617  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.836  -4.378   0.380  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        1.182  -6.060   0.304  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.709  -3.642  -0.794  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.427  -2.274  -0.731  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   7  26
ATOM     26  C   LIG    1       -3.370  -0.653   0.880  0.00  0.00    +0.153 A 
ATOM     27  N   LIG    1       -4.715  -0.920   0.777  0.00  0.00    -0.250 N 
ATOM     28  C   LIG    1       -5.632  -0.637  -0.305  0.00  0.00    +0.174 C 
ATOM     29  N   LIG    1       -5.199  -1.571   1.861  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1       -4.143  -1.708   2.659  0.00  0.00    +0.136 A 
ATOM     31  C   LIG    1       -2.978  -1.152   2.104  0.00  0.00    +0.069 A 
ENDBRANCH   7  26
BRANCH   5  32
ATOM     32  C   LIG    1       -2.518   2.099  -3.051  0.00  0.00    +0.040 C 
ATOM     33  C   LIG    1       -3.699   3.034  -3.088  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -2.309   3.590  -2.992  0.00  0.00    +0.010 C 
ENDBRANCH   5  32
TORSDOF 4