REMARK  Name = BDB034620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.346   1.385   0.475  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -0.124   0.721   0.229  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.507  -0.091   1.184  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.092  -0.252   2.429  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.295   0.391   2.715  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.908   1.195   1.753  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.057   2.287  -0.657  0.00  0.00    +0.134 C 
ATOM      8  O   LIG    1       -1.077   2.961  -1.531  0.00  0.00    -0.365 OA
ATOM      9  C   LIG    1       -1.335   4.226  -0.880  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1       -2.598   3.682  -0.229  0.00  0.00    +0.071 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.034   1.451  -1.516  0.00  0.00    +0.269 C 
ATOM     12  F   LIG    1       -2.337   0.438  -2.118  0.00  0.00    -0.234 F 
BRANCH  11  15
ATOM     13  C   LIG    1       -3.587  -1.534  -0.738  0.00  0.00    +0.151 C 
ATOM     14  N   LIG    1       -4.382  -0.390  -0.381  0.00  0.00    -0.318 N 
ATOM     15  C   LIG    1       -4.178   0.924  -0.717  0.00  0.00    +0.170 A 
ATOM     16  N   LIG    1       -5.143   1.648  -0.180  0.00  0.00    -0.132 NA
ATOM     17  N   LIG    1       -5.975   0.806   0.515  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -5.506  -0.412   0.388  0.00  0.00    +0.224 A 
ENDBRANCH  11  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        1.720  -0.695   0.813  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        2.081  -0.489  -0.117  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.520  -1.540   1.558  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1        2.310  -1.952   2.693  0.00  0.00    -0.268 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.764  -1.960   0.830  0.00  0.00    +0.126 A 
ATOM     24  N   LIG    1        3.914  -1.469  -0.434  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        5.037  -1.835  -1.121  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        6.005  -2.671  -0.557  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        5.822  -3.158   0.735  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.682  -2.800   1.445  0.00  0.00    +0.033 A 
BRANCH  25  29
ATOM     29  C   LIG    1        5.264  -1.297  -2.530  0.00  0.00    +0.434 C 
ATOM     30  F   LIG    1        6.193  -0.298  -2.561  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        4.142  -0.786  -3.111  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        5.724  -2.254  -3.389  0.00  0.00    -0.164 F 
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   3  19
TORSDOF 6