REMARK  Name = BDB017404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.285  -2.793   0.540  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.992  -2.768   1.363  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        0.291  -3.755   1.561  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.716  -1.534   1.939  0.00  0.00    -0.266 N 
ATOM      5  C   LIG    1        1.183  -1.353   3.315  0.00  0.00    +0.219 C 
ATOM      6  C   LIG    1        0.375  -0.154   3.801  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.994  -0.405   3.183  0.00  0.00    +0.035 C 
ATOM      8  S   LIG    1        2.950  -1.165   3.647  0.00  0.00    -0.012 S 
ATOM      9  O   LIG    1        3.355  -2.260   4.510  0.00  0.00    -0.173 OA
ATOM     10  O   LIG    1        3.207   0.204   4.057  0.00  0.00    -0.173 OA
ATOM     11  C   LIG    1        3.781  -1.386   2.089  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -0.671  -1.059   1.838  0.00  0.00    +0.164 C 
ATOM     13  C   LIG    1        3.533  -2.736   1.425  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.015  -1.707  -1.575  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        2.248  -1.704  -0.434  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        1.556  -0.958  -0.317  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        3.826  -2.597  -1.826  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        2.761  -0.505  -2.513  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        1.508  -0.777  -3.341  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        5.038   0.314  -2.742  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        3.906  -0.301  -3.427  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        4.197  -1.227  -3.757  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1       -0.767  -0.085   0.646  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1       -2.022   0.427   0.420  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -2.773   0.247   1.074  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        0.202   0.177  -0.068  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -2.283   1.405  -0.629  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -3.741   1.348  -1.058  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -4.498   2.520  -1.253  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -5.841   2.421  -1.650  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.423   1.178  -1.892  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.669   0.019  -1.743  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.914   3.890  -1.012  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -2.390   3.892  -1.046  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -4.338   0.103  -1.336  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -1.849   2.797  -0.139  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5