REMARK  Name = BDB061619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.794   1.373  -2.917  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.646   2.558  -0.890  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.712   1.498  -1.397  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.036   0.131  -1.355  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.174  -0.824  -1.919  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.539  -2.278  -2.009  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.927  -0.408  -2.410  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.558   0.943  -2.402  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -1.457   1.886  -1.892  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -4.246  -0.248  -0.840  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.295  -0.668   0.547  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.379   0.203   1.203  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -2.980  -0.537   1.341  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.811  -2.131   0.593  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.157  -2.787  -0.380  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.900  -2.671   1.837  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -4.657  -2.087   2.577  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.779   1.431  -1.863  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        2.572   0.361  -1.429  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        2.599  -0.747  -1.944  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        3.267   0.847  -0.332  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        2.829   2.119  -0.190  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        1.949   2.523  -1.052  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.211   0.163   0.475  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.824   0.792   1.573  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.768   0.126   2.382  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        6.096  -1.202   2.092  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.502  -1.843   1.010  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        4.573  -1.166   0.212  0.00  0.00    +0.026 A 
BRANCH  26  30
ATOM     30  C   LIG    1        6.386   0.830   3.566  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        6.613   2.152   3.330  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.585   0.307   3.943  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        5.588   0.779   4.667  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8