REMARK  Name = BDB038360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.463   0.123  -1.262  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.283  -0.529  -0.888  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.673   0.150  -0.147  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        0.500   1.440   0.219  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1       -0.629   2.098  -0.144  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.620   1.459  -0.881  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.869  -0.462   0.272  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1        2.262  -1.779   0.086  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1        1.694  -2.712  -0.450  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.590  -1.908   0.700  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.405  -3.022   0.772  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.633  -2.880   1.419  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.011  -1.642   1.974  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.171  -0.515   1.894  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.950  -0.677   1.244  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.857   0.316   1.002  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.566   0.811   2.486  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        4.689   1.232   3.438  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.607   1.800   1.552  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.791   0.803   3.079  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.831  -0.746  -1.561  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.508  -0.578  -2.034  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -2.188  -1.086  -3.309  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.147  -1.725  -4.099  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.450  -1.863  -3.634  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.791  -1.373  -2.375  0.00  0.00    +0.012 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -2.994  -1.925   1.214  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1       -3.861  -0.805   0.966  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1       -4.259  -0.285  -0.242  0.00  0.00    +0.164 A 
ATOM     30  N   LIG    1       -5.113   0.694  -0.005  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1       -5.245   0.839   1.357  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -4.487  -0.069   1.924  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
BRANCH   5  33
ATOM     33  C   LIG    1       -0.800   3.534   0.289  0.00  0.00    +0.038 C 
ATOM     34  C   LIG    1        0.365   4.494   0.216  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -0.779   4.640  -0.741  0.00  0.00    +0.010 C 
ENDBRANCH   5  33
TORSDOF 5