REMARK  Name = BDB000429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.602   0.319  -0.263  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        2.068  -0.972  -0.387  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.845  -1.297   0.213  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        0.160  -3.268   0.003  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        0.131  -0.328   0.931  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        0.684   0.950   1.096  0.00  0.00    +0.057 A 
ATOM      7  I   LIG    1       -0.249   2.437   2.244  0.00  0.00    -0.040 I 
ATOM      8  C   LIG    1        1.907   1.273   0.495  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        3.931   0.662  -0.895  0.00  0.00    +0.155 C 
BRANCH   9  11
ATOM     10  O   LIG    1        5.119  -0.050   1.134  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1        5.117   0.396  -0.000  0.00  0.00    +0.309 C 
BRANCH  11  12
ATOM     12  O   LIG    1        6.281   0.716  -0.603  0.00  0.00    -0.480 OA
ATOM     13  H   LIG    1        6.963   0.501   0.069  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   5  14
ATOM     14  O   LIG    1       -1.060  -0.651   1.537  0.00  0.00    -0.454 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.229  -0.456   0.827  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -2.320   0.049  -0.474  0.00  0.00    +0.064 A 
ATOM     17  C   LIG    1       -3.574   0.196  -1.077  0.00  0.00    +0.058 A 
ATOM     18  I   LIG    1       -3.644   0.957  -3.026  0.00  0.00    -0.040 I 
ATOM     19  C   LIG    1       -4.734  -0.160  -0.384  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1       -4.646  -0.663   0.913  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.394  -0.809   1.514  0.00  0.00    +0.050 A 
BRANCH  19  22
ATOM     22  O   LIG    1       -5.962  -0.018  -0.968  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1       -6.649  -0.311  -0.349  0.00  0.00    +0.292 HD
ENDBRANCH  19  22
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 6