REMARK  Name = BDB056967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.473   0.409   1.774  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1        0.904   0.028   2.616  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.885   0.048   1.648  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -1.405  -0.540   0.486  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -2.766  -0.768   0.394  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -3.511  -1.353  -0.673  0.00  0.00    -0.207 N 
ATOM      7  C   LIG    1       -4.957  -1.206  -0.344  0.00  0.00    +0.136 C 
ATOM      8  C   LIG    1       -5.012  -0.937   1.171  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1       -3.611  -0.507   1.470  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1       -3.120   0.030   2.648  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.754   0.318   2.725  0.00  0.00    +0.023 A 
BRANCH   6  12
ATOM     12  S   LIG    1       -3.034  -1.200  -2.278  0.00  0.00    +0.043 S 
ATOM     13  O   LIG    1       -4.081  -1.782  -3.096  0.00  0.00    -0.155 OA
ATOM     14  O   LIG    1       -1.664  -1.649  -2.420  0.00  0.00    -0.155 OA
ATOM     15  C   LIG    1       -3.065   0.565  -2.545  0.00  0.00    +0.218 C 
ENDBRANCH   6  12
ENDBRANCH   1   3
BRANCH   1  17
ATOM     16  C   LIG    1        2.775   0.197   0.978  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        1.442   0.602   0.757  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1        1.103   1.206  -0.463  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        2.051   1.370  -1.478  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        3.367   0.957  -1.253  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.728   0.383  -0.027  0.00  0.00    +0.048 A 
BRANCH  19  22
ATOM     22  C   LIG    1        1.607   1.984  -2.765  0.00  0.00    +0.160 C 
ATOM     23  O   LIG    1        0.442   2.355  -2.901  0.00  0.00    -0.292 OA
ATOM     24  C   LIG    1        2.606   2.136  -3.882  0.00  0.00    +0.091 C 
ENDBRANCH  19  22
BRANCH  16  25
ATOM     25  O   LIG    1        3.019  -0.351   2.213  0.00  0.00    -0.490 OA
BRANCH  25  27
ATOM     26  C   LIG    1        5.289  -0.123   3.022  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        4.244  -1.050   2.426  0.00  0.00    +0.226 C 
ENDBRANCH  25  27
ENDBRANCH  16  25
ENDBRANCH   1  17
TORSDOF 6