REMARK  Name = BDB000430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.290   0.036  -1.165  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -0.417  -0.325  -2.198  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        0.929   0.050  -2.138  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        2.132  -0.429  -3.790  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        1.420   0.752  -1.026  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        0.532   1.131  -0.006  0.00  0.00    +0.057 A 
ATOM      7  I   LIG    1        1.123   2.319   1.620  0.00  0.00    -0.040 I 
ATOM      8  C   LIG    1       -0.814   0.754  -0.062  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.709  -0.388  -1.260  0.00  0.00    +0.197 C 
ATOM     10  O   LIG    1       -2.945  -1.512  -1.697  0.00  0.00    -0.287 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -4.952   0.100  -0.243  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1       -3.759   0.516  -0.819  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -3.840   1.947  -0.886  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -5.055   2.287  -0.301  0.00  0.00    +0.136 A 
ATOM     15  C   LIG    1       -5.520   3.591  -0.148  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -4.697   4.611  -0.634  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.477   4.319  -1.245  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.037   2.994  -1.384  0.00  0.00    +0.012 A 
ATOM     19  O   LIG    1       -5.723   1.172   0.090  0.00  0.00    -0.459 OA
BRANCH  11  20
ATOM     20  C   LIG    1       -5.523  -1.234   0.092  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.890  -1.804   1.363  0.00  0.00    +0.007 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.262  -4.271   0.828  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -5.511  -3.131   1.805  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  24
ATOM     24  O   LIG    1        2.735   1.139  -0.977  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.542   0.142  -0.319  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.985   0.669  -0.260  0.00  0.00    +0.125 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.909  -0.253   0.439  0.00  0.00    -0.300 NA
BRANCH  27  28
ATOM     28  C   LIG    1        6.315  -1.351  -0.461  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        6.830  -2.562   0.309  0.00  0.00    +0.020 C 
ENDBRANCH  27  28
BRANCH  27  30
ATOM     30  C   LIG    1        7.091   0.478   0.936  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        6.785   1.267   2.206  0.00  0.00    +0.020 C 
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 11