REMARK  Name = BDB000428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.760  -0.220   0.133  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1        1.306   0.671  -0.849  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.013   1.202  -0.784  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1       -0.545   2.571  -2.272  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1       -0.852   0.830   0.255  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1       -0.387  -0.032   1.259  0.00  0.00    +0.057 A 
ATOM      7  I   LIG    1       -1.561  -0.563   2.914  0.00  0.00    -0.040 I 
ATOM      8  C   LIG    1        0.907  -0.560   1.192  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        3.166  -0.780   0.070  0.00  0.00    +0.065 C 
BRANCH   9  10
ATOM     10  CA  LIG    1        4.174  -0.005   0.938  0.00  0.00    +0.165 C 
BRANCH  10  11
ATOM     11  N   LIG    1        4.371   1.367   0.412  0.00  0.00    -0.318 NA
ATOM     12  H1  LIG    1        5.181   1.781   0.881  0.00  0.00    +0.119 HD
ATOM     13  H2  LIG    1        3.566   1.940   0.662  0.00  0.00    +0.119 HD
ENDBRANCH  10  11
BRANCH  10  14
ATOM     14  C   LIG    1        5.531  -0.722   1.003  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1        6.631  -0.188   1.017  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  OXT LIG    1        5.440  -2.058   1.155  0.00  0.00    -0.480 OA
ATOM     17  HXT LIG    1        6.375  -2.347   1.213  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  18
ATOM     18  O   LIG    1       -2.112   1.371   0.334  0.00  0.00    -0.454 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.157   0.694  -0.266  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1       -4.409   1.298  -0.111  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1       -5.548   0.713  -0.671  0.00  0.00    +0.058 A 
ATOM     22  I   LIG    1       -7.386   1.669  -0.398  0.00  0.00    -0.040 I 
ATOM     23  C   LIG    1       -5.434  -0.480  -1.390  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -4.188  -1.085  -1.548  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -3.049  -0.499  -0.987  0.00  0.00    +0.050 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -6.540  -1.062  -1.943  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1       -6.280  -1.874  -2.407  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8