REMARK  Name = BDB015396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.306   1.480  -3.027  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -0.897   1.990  -4.252  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.691   2.269  -2.336  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -3.761   0.791  -0.091  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -3.996   0.804  -1.473  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.947   1.007  -2.374  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -1.650   1.190  -1.891  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1       -1.411   1.221  -0.516  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.464   1.013   0.379  0.00  0.00    +0.025 A 
BRANCH   4  14
ATOM     10  C   LIG    1       -6.355   0.118   4.019  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1       -6.149   0.300   2.603  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1       -6.800   0.916   2.139  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1       -4.857   0.354   2.111  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1       -4.870   0.582   0.752  0.00  0.00    -0.269 N 
ATOM     15  H   LIG    1       -5.758   0.414   0.303  0.00  0.00    +0.156 HD
ATOM     16  O   LIG    1       -3.873   0.198   2.821  0.00  0.00    -0.253 OA
ENDBRANCH   4  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  N   LIG    1        0.275  -0.070  -3.341  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1        0.737  -1.014  -2.403  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1        0.568  -2.250  -2.757  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        0.015  -2.229  -4.130  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1       -0.424  -0.798  -4.413  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1        1.280  -0.593  -1.222  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1        2.486   0.266  -1.255  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        3.688  -0.407  -0.559  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1        3.467  -0.755   0.866  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1        2.024  -1.000   1.121  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        1.279  -1.563  -0.103  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1        3.938   0.332   1.738  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1        5.489   0.310   1.815  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        5.334   0.553   3.332  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        3.960  -0.141   3.217  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   1  17
TORSDOF 5