REMARK  Name = BDB051498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.073   0.851   0.617  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        3.226   0.900  -0.659  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1        1.999   1.319  -1.708  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.916   1.623  -3.151  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        0.482   2.259  -3.230  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -0.313   1.754  -1.969  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1        0.804   1.393  -1.059  0.00  0.00    +0.066 A 
ATOM      8  N   LIG    1        0.826   1.145   0.281  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        3.482   0.191   2.598  0.00  0.00    +0.235 C 
ATOM     10  N   LIG    1        2.370   0.570   1.920  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1        1.569   0.692   2.526  0.00  0.00    +0.157 HD
ATOM     12  O   LIG    1        3.357   0.094   3.830  0.00  0.00    -0.274 OA
BRANCH   9  13
ATOM     13  C   LIG    1        4.825  -0.175   1.937  0.00  0.00    +0.137 C 
ATOM     14  C   LIG    1        4.750  -1.609   1.415  0.00  0.00    +0.034 C 
BRANCH  13  16
ATOM     15  C   LIG    1        6.337   1.254   3.208  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1        5.925  -0.120   2.936  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1        5.561  -0.522   3.808  0.00  0.00    +0.122 HD
ENDBRANCH  13  16
ENDBRANCH   9  13
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1       -1.189   0.543  -2.274  0.00  0.00    +0.222 C 
ATOM     19  N   LIG    1       -1.753  -0.027  -1.155  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -1.579   0.402  -0.251  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -1.410   0.145  -3.414  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.676  -1.150  -1.208  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -4.049  -0.686  -0.760  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -4.570  -1.023   0.503  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -5.841  -0.552   0.871  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.579   0.260   0.011  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.059   0.606  -1.232  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.829  -1.939   1.446  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -2.343  -2.068   1.127  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -4.804   0.136  -1.615  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -2.139  -2.314  -0.365  0.00  0.00    +0.027 C 
ENDBRANCH  19  22
ENDBRANCH   6  18
TORSDOF 5