REMARK  Name = BDB049206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -0.240  -1.137  0.00  0.00    +0.225 A 
ATOM      2  N   LIG    1        1.423   0.355  -2.208  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        0.546   0.571  -3.195  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.799   0.261  -3.215  0.00  0.00    +0.169 A 
ATOM      5  N   LIG    1       -1.364   0.646  -4.414  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -0.375   1.176  -5.102  0.00  0.00    +0.199 A 
ATOM      7  C   LIG    1       -1.284  -0.353  -2.062  0.00  0.00    +0.248 A 
ATOM      8  N   LIG    1        0.800   1.152  -4.403  0.00  0.00    -0.329 N 
ATOM      9  H   LIG    1        1.698   1.495  -4.710  0.00  0.00    +0.168 HD
ATOM     10  N   LIG    1       -0.432  -0.596  -1.031  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.624  -0.548  -0.007  0.00  0.00    -0.283 N 
ATOM     12  H   LIG    1        1.020  -0.988   0.672  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        5.630  -0.068   1.217  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.704  -0.698   2.046  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.381  -0.840   1.614  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.962  -0.368   0.357  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.919   0.247  -0.459  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        5.247   0.396  -0.040  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        7.312   0.088   1.738  0.00  0.00    +0.056 S 
ATOM     20  O   LIG    1        8.155   0.272   0.580  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.591  -0.904   2.750  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        7.293   1.566   2.533  0.00  0.00    -0.204 NA
ATOM     23  H   LIG    1        7.903   2.226   2.050  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        7.528   1.432   3.517  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   7  25
ATOM     25  O   LIG    1       -2.616  -0.702  -1.969  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.999  -1.323  -0.741  0.00  0.00    +0.234 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.339  -0.284   0.345  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1       -4.400   0.713  -0.163  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -5.159   1.360   0.989  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -5.921   0.323   1.816  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -5.267  -1.060   1.813  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -3.753  -0.971   1.661  0.00  0.00    +0.007 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 7