REMARK  Name = BDB032670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032  -1.869  -1.135  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.898  -2.867  -1.157  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -2.021  -2.442  -1.849  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -1.764  -1.185  -2.216  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.477  -0.784  -1.811  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        1.895  -3.378  -0.350  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        1.268  -2.116  -0.398  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.852  -1.033   0.293  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        3.033  -1.180   1.033  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.630  -2.444   1.074  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.072  -3.530   0.390  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1        3.632  -0.047   1.749  0.00  0.00    +0.093 A 
ATOM     13  N   LIG    1        4.662  -0.216   2.596  0.00  0.00    -0.171 NA
ATOM     14  N   LIG    1        4.940   1.015   3.052  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1        6.015   1.194   3.998  0.00  0.00    +0.172 C 
ATOM     16  C   LIG    1        4.134   1.982   2.537  0.00  0.00    +0.108 A 
ATOM     17  C   LIG    1        3.273   1.330   1.686  0.00  0.00    +0.049 A 
ENDBRANCH   9  12
BRANCH   6  19
ATOM     18  C   LIG    1        1.861  -5.694  -0.952  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        1.316  -4.388  -1.075  0.00  0.00    -0.494 OA
ENDBRANCH   6  19
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1       -2.721  -0.455  -2.900  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1       -3.624  -0.909  -3.021  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.813   1.215  -2.834  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -4.048   1.610  -3.484  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -1.556   1.752  -3.312  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.006   1.537  -1.099  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.161   1.065  -0.457  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -4.342   1.274   0.915  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.388   1.978   1.646  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.247   2.462   1.011  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -2.060   2.256  -0.362  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -5.069   0.301  -1.145  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -6.356   0.920  -1.194  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -0.879   2.694  -0.894  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -0.970   4.075  -1.253  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 8