REMARK  Name = BDB034882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.556   0.307   1.302  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -0.366   0.695   0.669  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        0.162   0.213  -0.412  0.00  0.00    -0.152 NA
ATOM      4  S   LIG    1        0.366   2.027   1.652  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1       -0.950   1.974   2.789  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.840   1.034   2.452  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.824  -0.554   0.751  0.00  0.00    +0.144 A 
ATOM      8  C   LIG    1       -2.421  -0.705   0.795  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1       -1.896  -1.923   0.326  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.728  -2.950  -0.134  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.109  -2.786  -0.132  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.660  -1.589   0.315  0.00  0.00    +0.048 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.499   1.523   0.047  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.438   0.611   1.147  0.00  0.00    -0.493 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        1.290   0.817  -0.905  0.00  0.00    +0.270 C 
ATOM     16  O   LIG    1        1.266   1.891  -1.493  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.566   0.069  -0.738  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        3.807   0.681  -1.008  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        4.944  -0.099  -0.813  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        6.042   0.658  -1.119  0.00  0.00    -0.346 N 
ATOM     21  H   LIG    1        6.989   0.317  -1.059  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        5.649   1.913  -1.503  0.00  0.00    +0.085 A 
ATOM     23  N   LIG    1        5.004  -1.377  -0.399  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1        3.790  -1.916  -0.159  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        4.272   1.957  -1.444  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        2.575  -1.265  -0.305  0.00  0.00    +0.033 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4