REMARK  Name = BDB047065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.772   0.494   0.504  0.00  0.00    -0.147 NA
ATOM      2  N   LIG    1        0.292  -0.112  -0.481  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.109   0.025  -0.504  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.736   0.747  -1.535  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1       -0.917   1.412  -2.607  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -3.137   0.855  -1.554  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.935   0.250  -0.568  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1       -5.428   0.404  -0.658  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -3.294  -0.493   0.438  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -1.897  -0.602   0.468  0.00  0.00    +0.059 A 
BRANCH   9  11
ATOM     11  S   LIG    1       -4.210  -1.347   1.700  0.00  0.00    +0.110 S 
ATOM     12  O   LIG    1       -3.353  -2.359   2.283  0.00  0.00    -0.142 OA
ATOM     13  O   LIG    1       -4.879  -0.360   2.515  0.00  0.00    -0.142 OA
BRANCH  11  14
ATOM     14  O   LIG    1       -5.331  -2.190   0.904  0.00  0.00    -0.250 OA
ATOM     15  H   LIG    1       -5.229  -3.129   1.168  0.00  0.00    +0.245 HD
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   2   3
BRANCH   1  21
ATOM     16  C   LIG    1        4.780  -2.327   1.195  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1        4.181  -0.991   0.871  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        4.959   0.147   0.637  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        4.371   1.378   0.342  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        2.982   1.500   0.239  0.00  0.00    +0.056 A 
ATOM     21  C   LIG    1        2.178   0.375   0.513  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        2.785  -0.855   0.820  0.00  0.00    +0.038 A 
BRANCH  20  23
ATOM     23  N   LIG    1        2.411   2.779   0.070  0.00  0.00    -0.356 N 
ATOM     24  H   LIG    1        1.442   2.722  -0.239  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        2.975   3.410  -0.489  0.00  0.00    +0.142 HD
ENDBRANCH  20  23
BRANCH  18  26
ATOM     26  O   LIG    1        6.325   0.133   0.692  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        6.629  -0.744   0.969  0.00  0.00    +0.292 HD
ENDBRANCH  18  26
ENDBRANCH   1  21
TORSDOF 6