REMARK  Name = BDB032390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.742  -0.344  -1.596  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -1.147   0.816  -2.106  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.122   1.199  -1.675  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1        0.653   2.324  -2.175  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1        0.837   0.442  -0.746  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.238  -0.718  -0.232  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -1.034  -1.110  -0.660  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -3.108  -0.778  -2.070  0.00  0.00    +0.195 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -3.939  -1.170  -0.976  0.00  0.00    -0.372 OA
BRANCH   9  14
ATOM     10  C   LIG    1       -7.946   1.408   1.791  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -6.743   1.190   0.994  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1       -6.947   0.171  -0.065  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1       -5.823   0.395  -1.094  0.00  0.00    +0.050 C 
ATOM     14  C   LIG    1       -4.571  -0.066  -0.323  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1       -5.165  -0.555   1.014  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.510  -1.133   0.588  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -5.628   0.663   1.817  0.00  0.00    +0.090 C 
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  18
ATOM     18  C   LIG    1        2.197   0.893  -0.274  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.151  -0.208  -0.378  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        3.057  -0.708  -1.259  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.494   0.006  -0.049  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.440  -0.946  -0.462  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        6.804  -0.847  -0.120  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1        7.245   0.224   0.679  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        8.623   0.284   0.983  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        9.519  -0.633   0.571  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        9.056  -1.651  -0.181  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        6.287   1.152   1.135  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        7.732  -1.799  -0.551  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        4.935   1.033   0.787  0.00  0.00    +0.023 A 
BRANCH  25  31
ATOM     31  N   LIG    1        9.163   1.319   1.754  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       10.165   1.146   1.790  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        8.957   2.218   1.335  0.00  0.00    +0.144 HD
ENDBRANCH  25  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 7