REMARK  Name = BDB025381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.462   0.959   0.474  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -2.096   0.969   1.088  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1       -1.269  -0.092   0.463  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.698  -1.079  -0.396  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.545  -1.805  -0.711  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1        0.526  -1.334  -0.088  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.115  -1.201  -0.807  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1        0.088  -0.277   0.643  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.962   0.455   1.472  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        0.491   1.308   2.222  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.005  -0.407   0.169  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.443   0.137   1.404  0.00  0.00    +0.114 C 
ATOM     13  C   LIG    1        3.079   0.285   0.036  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.031  -0.645  -0.393  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1        4.682  -0.535  -1.566  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        4.386   0.527  -2.346  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        3.474   1.507  -2.002  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1        4.345  -1.759   0.373  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1        5.196  -2.176   0.011  0.00  0.00    +0.147 HD
ATOM     20  C   LIG    1        4.206  -1.603   1.802  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        2.818   1.391  -0.784  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.775  -1.184   2.115  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  24
ATOM     23  C   LIG    1       -5.536   2.509  -0.241  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1       -3.820   2.209  -0.607  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1       -3.729   1.691  -1.954  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1       -3.093   3.395  -0.206  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   5  27
ATOM     27  N   LIG    1       -0.506  -2.851  -1.543  0.00  0.00    -0.341 N 
ATOM     28  H   LIG    1       -1.170  -2.896  -2.307  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        0.430  -3.116  -1.838  0.00  0.00    +0.144 HD
ENDBRANCH   5  27
TORSDOF 3