REMARK  Name = BDB025390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -0.270  -0.155  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        0.676  -1.079  -0.175  0.00  0.00    -0.201 N 
ATOM      3  C   LIG    1        1.997  -0.679  -0.186  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        2.486   0.725  -0.224  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1        3.969   0.693  -0.401  0.00  0.00    -0.175 NA
ATOM      6  C   LIG    1        4.687  -0.364   0.380  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1        4.243  -1.766  -0.084  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        2.762  -1.823  -0.126  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.839  -2.873  -0.124  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        0.585  -2.439  -0.168  0.00  0.00    -0.149 NA
ATOM     11  O   LIG    1       -0.338   0.949  -0.125  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.040   1.819  -0.328  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.925   1.133   0.415  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -3.890   0.450  -0.267  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -3.936   0.329  -1.666  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.356   1.143  -2.107  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.722  -0.108  -2.336  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -2.166  -1.346  -1.651  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -1.802  -1.024  -0.198  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -2.909  -0.233   0.486  0.00  0.00    -0.011 A 
ATOM     21  C   LIG    1       -2.927  -0.169   1.889  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -3.923   0.545   2.537  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1       -3.931   0.600   3.875  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.918   1.190   1.818  0.00  0.00    +0.043 A 
ENDBRANCH   1  19
BRANCH   5  25
ATOM     25  S   LIG    1        4.728   2.195  -0.554  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1        3.906   3.028  -1.404  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1        6.122   1.957  -0.862  0.00  0.00    -0.158 OA
ATOM     28  C   LIG    1        4.645   2.852   1.102  0.00  0.00    +0.215 C 
ENDBRANCH   5  25
BRANCH   9  29
ATOM     29  N   LIG    1        2.166  -4.168  -0.087  0.00  0.00    -0.341 N 
ATOM     30  H   LIG    1        1.425  -4.824  -0.313  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        3.073  -4.473  -0.422  0.00  0.00    +0.144 HD
ENDBRANCH   9  29
TORSDOF 3