REMARK  Name = BDB064089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.972  -1.635  -0.228  0.00  0.00    -0.247 N 
ATOM      2  C   LIG    1        1.106  -2.684   0.049  0.00  0.00    +0.144 C 
ATOM      3  S   LIG    1        1.433  -4.295   0.265  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1       -0.173  -2.163   0.134  0.00  0.00    -0.292 N 
ATOM      5  H   LIG    1       -1.032  -2.675   0.320  0.00  0.00    +0.154 HD
ATOM      6  C   LIG    1       -0.146  -0.813  -0.054  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -1.183   0.031  -0.039  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        1.280  -0.439  -0.270  0.00  0.00    +0.266 C 
ATOM      9  O   LIG    1        1.709   0.696  -0.389  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.554  -0.327   0.179  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -3.646   0.594   0.174  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.772  -0.182   0.425  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -6.065   0.344   0.504  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.205   1.722   0.316  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.098   2.531   0.062  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -4.304  -1.460   0.558  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1       -4.847  -2.295   0.747  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1       -3.811   1.982  -0.012  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -2.973  -1.582   0.417  0.00  0.00    -0.173 NA
ENDBRANCH   7  10
BRANCH   1  20
ATOM     20  C   LIG    1        3.425  -1.711  -0.390  0.00  0.00    +0.134 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.174  -1.168   0.836  0.00  0.00    +0.123 C 
BRANCH  21  24
ATOM     22  C   LIG    1        4.992   2.440   0.055  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        5.183   0.948   0.105  0.00  0.00    +0.210 C 
ATOM     24  N   LIG    1        4.231   0.285   0.850  0.00  0.00    -0.314 N 
ATOM     25  H   LIG    1        3.349   0.775   0.968  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        6.097   0.383  -0.486  0.00  0.00    -0.276 OA
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4