REMARK  Name = BDB061111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.921   1.194  -0.787  0.00  0.00    -0.347 N 
ATOM      2  C   LIG    1        1.609   0.963  -0.424  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.846   1.048  -1.590  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -0.548   0.847  -1.510  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -1.172   0.570  -0.277  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.361   0.487   0.867  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.736   1.339  -2.659  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.026   0.680   0.819  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        3.005   1.425  -2.136  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.632   0.367  -0.210  0.00  0.00    +0.078 A 
ATOM     11  N   LIG    1       -3.174  -0.302  -1.245  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -4.499  -0.500  -1.153  0.00  0.00    +0.272 A 
ATOM     13  N   LIG    1       -5.332  -0.106  -0.176  0.00  0.00    -0.197 NA
ATOM     14  C   LIG    1       -4.775   0.585   0.827  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -3.407   0.831   0.844  0.00  0.00    +0.072 A 
BRANCH  12  16
ATOM     16  S   LIG    1       -5.254  -1.408  -2.489  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1       -5.881  -2.601  -1.942  0.00  0.00    -0.167 OA
ATOM     18  O   LIG    1       -6.011  -0.473  -3.307  0.00  0.00    -0.167 OA
ATOM     19  C   LIG    1       -3.884  -1.961  -3.469  0.00  0.00    +0.204 C 
ENDBRANCH  12  16
BRANCH  14  20
ATOM     20  N   LIG    1       -5.575   1.034   1.899  0.00  0.00    -0.321 N 
ATOM     21  C   LIG    1       -6.922   0.454   1.889  0.00  0.00    +0.130 C 
ATOM     22  C   LIG    1       -5.564   2.492   2.042  0.00  0.00    +0.130 C 
ENDBRANCH  14  20
ENDBRANCH   5  10
BRANCH   1  23
ATOM     23  C   LIG    1        4.062   1.205   0.115  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.633  -0.195   0.336  0.00  0.00    +0.037 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.829  -0.142   1.293  0.00  0.00    +0.085 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.607  -2.356   2.300  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        6.483  -1.418   1.603  0.00  0.00    -0.308 NA
ATOM     28  C   LIG    1        7.095  -2.045   0.434  0.00  0.00    +0.104 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7