REMARK  Name = BDB029695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.779  -0.526  -1.424  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        1.653   0.371  -1.788  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.243  -0.157  -1.997  0.00  0.00    +0.079 C 
ATOM      4  N   LIG    1        0.022  -1.620  -1.965  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        1.268  -2.345  -2.268  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.577   0.677  -0.790  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        2.468  -1.969  -1.373  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        6.049   0.914   0.780  0.00  0.00    +0.160 A 
ATOM      9  C   LIG    1        5.152   1.822   0.247  0.00  0.00    +0.156 A 
ATOM     10  F   LIG    1        5.280   3.146   0.405  0.00  0.00    -0.203 F 
ATOM     11  C   LIG    1        4.066   1.340  -0.484  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        3.871  -0.035  -0.679  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        4.851  -0.857  -0.103  0.00  0.00    +0.134 A 
ATOM     14  N   LIG    1        5.924  -0.436   0.618  0.00  0.00    -0.246 NA
BRANCH   8  18
ATOM     15  C   LIG    1        9.258   0.562   2.740  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        8.009   0.333   2.067  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.755  -0.602   1.757  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.236   1.368   1.574  0.00  0.00    +0.265 C 
ATOM     19  O   LIG    1        7.497   2.549   1.758  0.00  0.00    -0.268 OA
ENDBRANCH   8  18
ENDBRANCH   1  12
BRANCH   4  20
ATOM     20  C   LIG    1       -0.670  -2.134  -0.780  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.071  -1.592  -0.639  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -2.479  -0.905   0.511  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -3.786  -0.440   0.589  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.651  -0.677  -0.475  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -6.021  -0.189  -0.391  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -6.481   0.498   0.675  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.527   0.722   1.833  0.00  0.00    +0.253 A 
ATOM     28  O   LIG    1       -5.883   1.302   2.855  0.00  0.00    -0.268 OA
ATOM     29  N   LIG    1       -4.296  -1.340  -1.595  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -4.245   0.252   1.712  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -3.637   0.424   2.501  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.015  -1.778  -1.651  0.00  0.00    +0.116 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -7.874   0.988   0.775  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -8.122   2.476   0.836  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.521   1.704  -0.386  0.00  0.00    +0.009 C 
ENDBRANCH  26  33
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5