REMARK  Name = BDB062624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.471  -0.404  -3.001  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.863  -1.300  -3.287  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.486  -0.409  -1.948  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.440   0.605  -1.854  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.324   0.581  -0.785  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -3.407   1.566  -0.489  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1       -4.036   0.980   0.781  0.00  0.00    +0.118 C 
ATOM      8  N   LIG    1       -3.265  -0.220   1.151  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1       -3.495  -1.020   2.256  0.00  0.00    +0.217 C 
ATOM     10  O   LIG    1       -2.843  -2.020   2.556  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -4.645  -0.590   3.136  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -2.269  -0.425   0.180  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -1.326  -1.435   0.092  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.429  -1.425  -0.982  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.635   0.823  -3.040  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        0.975   2.108  -3.139  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        2.623   0.413  -4.016  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1        3.964  -0.368   0.048  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        3.371  -0.258  -1.211  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        2.386   0.708  -1.435  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        2.007   1.590  -0.421  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.601   1.479   0.834  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.574   0.501   1.069  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.555  -1.502   1.405  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.899  -1.361   0.150  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 4