REMARK  Name = BDB025387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.473   0.380  -0.140  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -4.412  -0.392  -0.843  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -3.227  -0.553   0.062  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -2.018  -0.924  -0.366  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -1.243  -0.948   0.766  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -1.984  -0.566   1.893  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        0.115  -1.335   0.717  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        0.753  -1.410   1.764  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -3.261  -0.322   1.455  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -4.482   0.136   2.167  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -5.723  -0.024   1.274  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        0.637  -1.656  -0.678  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.129  -1.371  -0.837  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        2.958  -2.278  -1.518  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.326  -2.001  -1.614  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        4.857  -0.804  -1.126  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.037   0.146  -0.507  0.00  0.00    -0.017 A 
ATOM     18  N   LIG    1        2.482  -3.511  -1.988  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        3.035  -3.862  -2.765  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        1.049  -3.585  -2.215  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        2.671  -0.153  -0.376  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        0.313  -3.128  -0.971  0.00  0.00    +0.036 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.588   1.412   0.004  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        5.336   2.264  -0.825  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.857   3.466  -0.339  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.641   3.835   0.987  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.903   3.004   1.826  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.381   1.803   1.338  0.00  0.00    +0.008 A 
ENDBRANCH  17  23
ENDBRANCH   7  12
BRANCH   1  30
ATOM     29  C   LIG    1       -4.289   2.834  -0.162  0.00  0.00    +0.215 C 
ATOM     30  S   LIG    1       -5.764   1.953  -0.636  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1       -6.862   2.475   0.149  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1       -5.819   1.949  -2.083  0.00  0.00    -0.158 OA
ENDBRANCH   1  30
BRANCH   6  33
ATOM     33  N   LIG    1       -1.459  -0.467   3.134  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1       -0.516  -0.833   3.314  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -2.043  -0.435   3.965  0.00  0.00    +0.144 HD
ENDBRANCH   6  33
TORSDOF 4