REMARK  Name = BDB032595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.183   2.147  -2.207  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.483   2.137  -3.178  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.871   1.322  -1.861  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        1.418   0.538  -2.791  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        2.425  -0.159  -2.148  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.485   0.219  -0.838  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        1.511   1.166  -0.617  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.507  -0.421  -0.016  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.679  -0.044   1.325  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        4.654  -0.652   2.123  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.471  -1.646   1.591  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.315  -2.033   0.263  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.340  -1.425  -0.534  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -1.189   2.933  -1.143  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -0.383   3.654  -0.180  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.196   3.606  -1.937  0.00  0.00    -0.150 OA
BRANCH  14  22
ATOM     17  C   LIG    1       -3.947  -1.665   1.722  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -3.277  -0.532   0.991  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -3.483  -0.327  -0.390  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1       -4.380  -1.231  -1.192  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -2.840   0.744  -1.029  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -1.998   1.593  -0.303  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -1.805   1.406   1.065  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -2.441   0.343   1.705  0.00  0.00    +0.005 A 
ENDBRANCH  14  22
ENDBRANCH   1  14
TORSDOF 4