REMARK  Name = BDB051563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.754  -0.369  -0.952  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.895  -0.560  -2.339  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.253  -0.714  -3.139  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.508  -0.670  -2.544  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1        2.398  -0.864  -3.569  0.00  0.00    -0.276 N 
ATOM      6  H   LIG    1        3.409  -0.911  -3.504  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1        1.824  -1.005  -4.777  0.00  0.00    -0.181 NA
ATOM      8  C   LIG    1        1.683  -0.474  -1.169  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        0.518  -0.916  -4.511  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        0.528  -0.326  -0.386  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  17
ATOM     11  N   LIG    1       -4.007  -0.515   0.675  0.00  0.00    -0.342 N 
ATOM     12  C   LIG    1       -3.413   0.390   1.519  0.00  0.00    +0.087 A 
ATOM     13  C   LIG    1       -2.121   0.602   1.057  0.00  0.00    +0.101 A 
ATOM     14  N   LIG    1       -1.265   1.453   1.666  0.00  0.00    -0.213 NA
ATOM     15  C   LIG    1       -1.766   2.077   2.731  0.00  0.00    +0.213 A 
ATOM     16  N   LIG    1       -2.991   1.914   3.249  0.00  0.00    -0.221 NA
ATOM     17  C   LIG    1       -1.930  -0.207  -0.103  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -3.846   1.066   2.643  0.00  0.00    +0.142 A 
ATOM     19  C   LIG    1       -3.117  -0.891  -0.304  0.00  0.00    +0.097 A 
BRANCH  15  20
ATOM     20  N   LIG    1       -0.925   2.945   3.404  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -1.224   3.015   4.366  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        0.035   2.683   3.232  0.00  0.00    +0.145 HD
ENDBRANCH  15  20
BRANCH  11  23
ATOM     23  C   LIG    1       -5.358  -1.040   0.796  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.390  -0.254  -0.022  0.00  0.00    +0.099 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -6.678   1.070   0.533  0.00  0.00    -0.328 NA
ATOM     26  H   LIG    1       -7.396   1.524  -0.033  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -5.853   1.667   0.448  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  11  23
ENDBRANCH   1  17
BRANCH   8  28
ATOM     28  C   LIG    1        3.029  -0.414  -0.619  0.00  0.00    +0.023 A 
ATOM     29  S   LIG    1        3.571  -1.639   0.438  0.00  0.00    -0.088 S 
ATOM     30  C   LIG    1        5.128  -0.922   0.606  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        5.230   0.254  -0.141  0.00  0.00    -0.010 A 
ATOM     32  C   LIG    1        6.452   0.967  -0.104  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1        7.523   0.495   0.661  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.399  -0.677   1.393  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.204  -1.401   1.378  0.00  0.00    +0.015 A 
ATOM     36  C   LIG    1        4.008   0.531  -0.841  0.00  0.00    +0.024 A 
ENDBRANCH   8  28
TORSDOF 6