REMARK  Name = BDB015857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.680   0.816   0.602  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.613  -0.270  -0.271  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -0.441  -0.675  -0.803  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        0.686  -0.028  -0.451  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.720   1.012   0.399  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.466   1.406   0.902  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.961  -0.494  -1.034  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        3.188   0.123  -0.711  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.409  -0.309  -1.256  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        4.403  -1.383  -2.152  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.207  -2.013  -2.491  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.003  -1.573  -1.937  0.00  0.00    +0.011 A 
BRANCH   9  13
ATOM     13  C   LIG    1        5.661   0.345  -0.911  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        5.931   0.970   0.289  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        7.213   1.430   0.204  0.00  0.00    -0.274 N 
ATOM     16  C   LIG    1        7.947   2.150   1.217  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1        7.808   1.147  -0.968  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        6.863   0.487  -1.643  0.00  0.00    +0.142 A 
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     19  C   LIG    1       -4.819   2.461   2.049  0.00  0.00    +0.209 A 
ATOM     20  S   LIG    1       -3.304   2.936   1.394  0.00  0.00    -0.039 S 
ATOM     21  C   LIG    1       -2.935   1.266   1.196  0.00  0.00    +0.137 A 
ATOM     22  N   LIG    1       -3.901   0.465   1.605  0.00  0.00    -0.141 NA
ATOM     23  N   LIG    1       -4.988   1.154   2.102  0.00  0.00    -0.134 NA
BRANCH  19  24
ATOM     24  C   LIG    1       -5.831   3.397   2.508  0.00  0.00    +0.366 C 
ATOM     25  O   LIG    1       -6.923   3.096   2.980  0.00  0.00    -0.243 OA
BRANCH  24  27
ATOM     26  C   LIG    1       -6.365   5.669   2.783  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1       -5.414   4.693   2.353  0.00  0.00    -0.463 OA
ENDBRANCH  24  27
ENDBRANCH  19  24
ENDBRANCH   1  21
BRANCH   2  28
ATOM     28  N   LIG    1       -2.793  -0.901  -0.702  0.00  0.00    -0.328 N 
ATOM     29  H   LIG    1       -3.457  -0.994   0.069  0.00  0.00    +0.147 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -2.661  -2.129  -1.485  0.00  0.00    +0.109 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.260  -3.334  -0.638  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1       -3.348  -3.943   0.269  0.00  0.00    +0.087 C 
ATOM     33  N   LIG    1       -3.627  -4.954  -0.772  0.00  0.00    -0.315 NA
ATOM     34  H   LIG    1       -4.412  -4.707  -1.376  0.00  0.00    +0.122 HD
ATOM     35  C   LIG    1       -2.306  -4.686  -1.376  0.00  0.00    +0.087 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   2  28
TORSDOF 8