REMARK  Name = BDB030289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.022  -1.947   0.280  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.191  -0.734   0.290  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        0.218   0.245   0.213  0.00  0.00    -0.282 N 
ATOM      4  H   LIG    1        0.529   1.200   0.092  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.591  -0.227   0.346  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        3.591  -0.973  -0.289  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        4.913  -0.528  -0.252  0.00  0.00    +0.051 A 
ATOM      8  N   LIG    1        5.909  -1.286  -0.903  0.00  0.00    -0.322 N 
ATOM      9  H   LIG    1        5.662  -2.143  -1.382  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        7.251  -0.957  -0.941  0.00  0.00    +0.257 A 
ATOM     11  C   LIG    1        7.625   0.271  -0.249  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        6.670   1.033   0.398  0.00  0.00    +0.034 A 
ATOM     13  S   LIG    1        7.338   2.417   1.131  0.00  0.00    -0.096 S 
ATOM     14  C   LIG    1        8.914   2.015   0.596  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        8.929   0.845  -0.131  0.00  0.00    +0.021 A 
ATOM     16  O   LIG    1        8.062  -1.667  -1.528  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        5.254   0.661   0.426  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.251   1.390   1.074  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        2.924   0.945   1.039  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -1.180   0.058   0.190  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -1.808  -1.173   0.335  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -3.209  -1.268   0.303  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -4.034  -0.146   0.133  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -3.377   1.084  -0.007  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -1.978   1.190   0.021  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -5.412  -0.248   0.101  0.00  0.00    -0.326 N 
ATOM     27  C   LIG    1       -6.096  -1.526  -0.154  0.00  0.00    +0.133 C 
ATOM     28  C   LIG    1       -7.486  -1.268  -0.760  0.00  0.00    +0.178 C 
ATOM     29  O   LIG    1       -8.349  -0.473   0.066  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -7.638   0.431   0.922  0.00  0.00    +0.178 C 
ATOM     31  C   LIG    1       -6.290   0.906   0.351  0.00  0.00    +0.133 C 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3