REMARK  Name = BDB063950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.588  -0.846   0.281  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.154  -1.648   0.548  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.771  -1.163  -0.132  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -0.913  -1.139  -1.669  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -2.340  -1.539  -2.081  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -3.340  -0.552  -1.454  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -3.237  -0.573   0.092  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -3.522  -2.019   0.571  0.00  0.00    +0.029 C 
ATOM      9  C   LIG    1       -2.520  -3.004  -0.048  0.00  0.00    -0.007 C 
ATOM     10  C   LIG    1       -2.641  -2.957  -1.577  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -1.792  -0.208   0.518  0.00  0.00    +0.051 C 
ATOM     12  C   LIG    1       -1.096  -2.600   0.358  0.00  0.00    +0.029 C 
BRANCH   7  13
ATOM     13  N   LIG    1       -4.220   0.328   0.699  0.00  0.00    -0.309 N 
ATOM     14  H   LIG    1       -4.956  -0.073   1.267  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -4.256   1.686   0.499  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.458   2.329  -0.165  0.00  0.00    -0.276 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.372   2.368   1.202  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1       -6.335   3.223   0.413  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -6.806   1.931   1.010  0.00  0.00    +0.013 C 
ENDBRANCH  15  17
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  25
ATOM     20  O   LIG    1        1.984   3.333  -1.210  0.00  0.00    -0.268 OA
ATOM     21  C   LIG    1        1.980   2.205  -0.760  0.00  0.00    +0.269 C 
ATOM     22  C   LIG    1        3.130   1.382  -0.300  0.00  0.00    +0.130 C 
ATOM     23  C   LIG    1        4.389   1.834  -0.352  0.00  0.00    +0.041 C 
ATOM     24  N   LIG    1        2.670   0.157   0.130  0.00  0.00    -0.213 NA
ATOM     25  C   LIG    1        1.380   0.207  -0.042  0.00  0.00    +0.188 C 
ATOM     26  N   LIG    1        0.927   1.374  -0.554  0.00  0.00    -0.253 N 
ATOM     27  H   LIG    1       -0.018   1.644  -0.754  0.00  0.00    +0.158 HD
BRANCH  23  28
ATOM     28  C   LIG    1        5.601   1.107   0.058  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1        6.785   1.334  -0.664  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        7.961   0.672  -0.268  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        7.990  -0.191   0.829  0.00  0.00    +0.078 A 
ATOM     32  N   LIG    1        9.221  -0.769   1.100  0.00  0.00    -0.247 NA
ATOM     33  C   LIG    1       10.102  -0.349   0.223  0.00  0.00    +0.157 A 
ATOM     34  C   LIG    1        6.802  -0.397   1.555  0.00  0.00    +0.029 A 
ATOM     35  S   LIG    1        9.537   0.747  -0.964  0.00  0.00    -0.075 S 
ATOM     36  C   LIG    1        5.625   0.257   1.167  0.00  0.00    +0.010 A 
ENDBRANCH  23  28
ENDBRANCH   1  25
TORSDOF 5