REMARK  Name = BDB003286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.700   0.336   0.636  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        1.486   0.657   1.259  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.278   0.366   0.586  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.239  -0.248  -0.679  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1       -0.992  -0.578  -1.315  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1       -0.894  -0.654  -2.781  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        0.192  -1.654  -3.156  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.540  -1.146  -2.674  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.471  -0.562  -1.285  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.680  -0.266  -0.630  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.277  -0.134  -0.900  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -2.910  -0.739   0.223  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -4.163  -0.226   0.627  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.819  -0.772   1.745  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -4.259  -1.832   2.457  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.039  -2.364   2.059  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.741   0.819  -0.094  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -4.070   1.313  -1.202  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1       -2.375  -1.828   0.955  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1       -2.865   0.857  -1.610  0.00  0.00    -0.226 NA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.663   2.414  -2.030  0.00  0.00    +0.260 C 
ATOM     22  O   LIG    1       -3.982   3.221  -2.652  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1       -6.035   2.479  -2.103  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -6.610   1.671  -1.908  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -6.388   3.135  -2.789  0.00  0.00    +0.145 HD
ENDBRANCH  18  21
ENDBRANCH   5  11
BRANCH   1  30
ATOM     26  C   LIG    1        7.210  -0.259   2.585  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.986   0.318   2.086  0.00  0.00    -0.274 N 
ATOM     28  N   LIG    1        5.822   1.653   2.123  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.597   1.831   1.619  0.00  0.00    +0.142 A 
ATOM     30  C   LIG    1        3.987   0.616   1.240  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.924  -0.348   1.548  0.00  0.00    +0.116 A 
ENDBRANCH   1  30
BRANCH   2  32
ATOM     32  C   LIG    1        1.417   1.300   2.620  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        2.136   0.637   3.570  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.868   2.585   2.623  0.00  0.00    -0.204 F 
ENDBRANCH   2  32
TORSDOF 4