REMARK  Name = BDB037248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.018  -2.341  -0.546  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1        0.539  -2.397  -1.403  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.142  -1.292   0.318  0.00  0.00    +0.256 C 
ATOM      4  O   LIG    1       -0.680  -0.961   1.162  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.371  -0.471   0.143  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.316   0.885   0.481  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        2.446   1.690   0.326  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.640   1.163  -0.189  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        3.689  -0.203  -0.512  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.565  -1.017  -0.342  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.386   3.031   0.595  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        2.146   3.280   1.982  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.869   2.028  -0.355  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.610   2.166   0.893  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.682   3.362   1.516  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.469   3.129   2.569  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.920   1.799   2.617  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.358   1.200   1.513  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.407  -3.214  -0.656  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -1.469  -3.901   0.616  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -1.190  -3.920  -2.007  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -1.964  -4.568  -2.168  0.00  0.00    +0.199 HD
BRANCH  19  26
ATOM     23  C   LIG    1       -5.092  -0.533  -1.064  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -3.864  -0.099  -1.569  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -2.722  -0.915  -1.486  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -2.822  -2.167  -0.855  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -4.058  -2.610  -0.371  0.00  0.00    +0.145 A 
ATOM     28  C   LIG    1       -5.188  -1.799  -0.490  0.00  0.00    +0.092 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.199   1.530  -1.497  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.267   0.165  -1.100  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -1.510  -0.570  -2.025  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -1.377   0.707  -2.636  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -4.205  -3.883   0.113  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -4.527  -3.877   1.507  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9