REMARK  Name = BDB042689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.012  -2.017  -0.902  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.175  -1.296  -1.151  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1        1.220   0.150  -1.381  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1        2.459   0.558  -2.169  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        3.751   0.149  -1.447  0.00  0.00    +0.176 C 
ATOM      6  C   LIG    1        3.575  -1.133  -0.619  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1        2.452  -2.009  -1.153  0.00  0.00    +0.111 C 
ATOM      8  O   LIG    1        0.018  -3.239  -0.755  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -1.280  -1.220  -0.827  0.00  0.00    +0.102 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.456  -2.095  -0.388  0.00  0.00    +0.062 C 
BRANCH  10  18
ATOM     11  C   LIG    1       -5.534  -0.291   3.568  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.124   0.123   2.246  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1       -5.524  -0.215   1.011  0.00  0.00    -0.005 A 
ATOM     14  C   LIG    1       -6.132   0.204  -0.191  0.00  0.00    +0.082 A 
ATOM     15  C   LIG    1       -5.502  -0.155  -1.485  0.00  0.00    +0.259 A 
ATOM     16  N   LIG    1       -4.337  -0.888  -1.414  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1       -3.941  -1.136  -2.314  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -3.728  -1.295  -0.253  0.00  0.00    +0.020 A 
ATOM     19  O   LIG    1       -5.965   0.167  -2.572  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -7.312   0.945  -0.160  0.00  0.00    +0.136 A 
ATOM     21  F   LIG    1       -7.914   1.360  -1.283  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -7.903   1.279   1.053  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -4.277  -0.994   0.934  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -7.314   0.871   2.248  0.00  0.00    +0.007 A 
ENDBRANCH  10  18
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  25
ATOM     25  O   LIG    1        4.103   1.237  -0.579  0.00  0.00    -0.489 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.406   1.413  -0.210  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        6.486   0.605  -0.559  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        7.774   0.912  -0.100  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        7.988   2.030   0.712  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        6.908   2.840   1.064  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        5.625   2.529   0.604  0.00  0.00    +0.047 A 
BRANCH  29  32
ATOM     32  C   LIG    1        9.307   2.340   1.180  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       10.376   2.589   1.557  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6