REMARK  Name = BDB057099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.011   0.022   0.105  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.350   0.139  -0.072  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.967  -0.366   0.552  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.821   0.805  -0.392  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   6
ATOM      5  N   LIG    1       -2.872  -1.103   1.250  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -1.438  -1.211   0.941  0.00  0.00    +0.162 C 
ATOM      7  C   LIG    1       -1.327  -2.486   0.118  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -2.619  -2.483  -0.693  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -3.646  -1.847   0.254  0.00  0.00    +0.137 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -3.377  -0.243   2.219  0.00  0.00    +0.072 C 
ATOM     11  S   LIG    1       -2.453   0.323   3.519  0.00  0.00    -0.038 S 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.825   0.296   2.072  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1       -5.901  -0.777   2.202  0.00  0.00    +0.035 C 
BRANCH  12  16
ATOM     14  C   LIG    1       -5.704   2.655  -0.776  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -5.902   1.888   0.504  0.00  0.00    +0.210 C 
ATOM     16  N   LIG    1       -4.875   1.028   0.808  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -3.997   1.139   0.302  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -6.899   2.034   1.203  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   5  10
BRANCH   8  19
ATOM     19  O   LIG    1       -2.969  -3.798  -1.090  0.00  0.00    -0.390 OA
ATOM     20  H   LIG    1       -3.087  -4.345  -0.293  0.00  0.00    +0.210 HD
ENDBRANCH   8  19
ENDBRANCH   1   6
BRANCH   2  21
ATOM     21  C   LIG    1        0.898   1.293  -0.748  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.377   1.125  -0.966  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.300   1.714  -0.092  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.673   1.538  -0.288  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.149   0.767  -1.356  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        4.225   0.169  -2.222  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.852   0.343  -2.027  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.587   0.584  -1.547  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        7.543   0.033  -0.704  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        7.316  -0.556   0.643  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        8.839   0.043  -1.200  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        8.851   0.591  -2.393  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1        7.340   1.120  -2.998  0.00  0.00    -0.075 S 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8