REMARK  Name = BDB015606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.653  -1.754   0.923  0.00  0.00    +0.328 A 
ATOM      2  N   LIG    1       -0.875  -0.656   0.205  0.00  0.00    -0.175 NA
ATOM      3  C   LIG    1        0.213  -0.000  -0.191  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        1.459  -0.382   0.080  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        1.530  -1.466   0.831  0.00  0.00    +0.241 A 
ATOM      6  N   LIG    1        0.540  -2.228   1.255  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.029   1.232  -1.006  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.215   1.646  -1.318  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -1.455   2.782  -2.077  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.837   3.141  -2.357  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.430   3.582  -2.576  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -0.607   4.590  -3.257  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.961   3.144  -2.234  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.081   3.992  -2.747  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.140   2.037  -1.496  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.797  -1.975   1.134  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        2.697  -2.896   1.558  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.717  -1.015   2.149  0.00  0.00    +0.048 S 
ATOM     19  O   LIG    1        2.981   0.161   2.558  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.237  -1.927   3.148  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.104  -0.517   1.107  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        4.674   0.406  -0.025  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.867  -1.724   0.569  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -1.726  -2.518   1.374  0.00  0.00    -0.423 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -2.872  -0.712   3.292  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.582  -1.140   2.040  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -2.981  -2.011   1.113  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1       -3.662  -2.432  -0.043  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -3.036  -3.386  -1.018  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -4.934  -1.906  -0.301  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -5.525  -1.010   0.590  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.854  -0.631   1.753  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6