REMARK  Name = BDB002087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.595   2.498   0.021  0.00  0.00    +0.201 A 
ATOM      2  C   LIG    1       -2.864   1.169  -0.256  0.00  0.00    +0.227 A 
ATOM      3  O   LIG    1       -1.651   0.527  -0.235  0.00  0.00    -0.420 OA
ATOM      4  C   LIG    1       -0.730   1.498   0.046  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1       -1.244   2.700   0.209  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -3.962   0.409  -0.526  0.00  0.00    -0.299 N 
ATOM      7  C   LIG    1       -3.852  -1.046  -0.621  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -5.124  -1.707  -0.099  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1       -6.381  -1.245  -0.851  0.00  0.00    +0.078 C 
ATOM     10  C   LIG    1       -6.157   0.078  -1.594  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -5.262   1.028  -0.800  0.00  0.00    +0.109 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -7.554  -1.139   0.115  0.00  0.00    +0.214 C 
ATOM     13  O   LIG    1       -8.133  -0.096   0.391  0.00  0.00    -0.276 OA
ATOM     14  N   LIG    1       -7.938  -2.317   0.686  0.00  0.00    -0.329 N 
ATOM     15  H   LIG    1       -8.760  -2.289   1.278  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -7.635  -3.216   0.337  0.00  0.00    +0.145 HD
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  17
ATOM     17  C   LIG    1        0.666   1.077   0.127  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        1.661   2.023   0.418  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        3.010   1.654   0.504  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.386   0.328   0.298  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        2.403  -0.620   0.008  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.056  -0.252  -0.078  0.00  0.00    +0.017 A 
BRANCH  20  23
ATOM     23  O   LIG    1        4.657  -0.169   0.351  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.704   0.752   0.645  0.00  0.00    +0.264 C 
BRANCH  24  25
ATOM     25  C   LIG    1        7.006  -0.012   0.651  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        7.475  -0.608   1.831  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        8.670  -1.331   1.832  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        9.397  -1.469   0.652  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       10.869  -2.361   0.653  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        8.937  -0.895  -0.531  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.742  -0.172  -0.533  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  17
BRANCH   1  33
ATOM     32  N   LIG    1       -4.273   4.458   0.214  0.00  0.00    -0.189 NA
ATOM     33  C   LIG    1       -3.514   3.582   0.134  0.00  0.00    +0.124 C 
ENDBRANCH   1  33
TORSDOF 7