REMARK  Name = BDB057633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.379   0.106   1.284  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        2.604  -0.432   0.870  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        3.695   0.406   0.594  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        3.510   1.790   0.745  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        4.558   2.660   0.449  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        4.445   3.659   0.557  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        5.777   2.254  -0.005  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        5.994   0.782  -0.178  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        7.362   0.461  -0.720  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        7.515  -1.219  -1.387  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        6.668  -2.077  -0.043  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        5.222  -1.601   0.072  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        6.660   3.072  -0.249  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.296   2.329   1.186  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.019  -0.099   0.145  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        1.227   1.482   1.467  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        0.471  -1.672   2.456  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.268  -0.814   1.600  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -0.941  -0.665   0.933  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1       -2.044  -1.539   1.338  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -3.317  -1.374   0.480  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -3.622   0.043   0.252  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1       -2.506   0.739  -0.422  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -1.131   0.037  -0.336  0.00  0.00    +0.123 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.917   0.349  -0.355  0.00  0.00    +0.057 C 
ATOM     26  C   LIG    1       -6.127   0.033   0.531  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -7.316   0.167  -0.418  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -6.768  -0.083  -1.825  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -5.279  -0.377  -1.654  0.00  0.00    +0.019 C 
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 2