REMARK  Name = BDB018933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.721  -0.541  -1.743  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        0.578  -0.551  -1.183  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.719  -0.315  -1.967  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.994  -0.308  -1.375  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.170  -0.572  -0.009  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.049  -0.871   0.780  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.601  -0.017  -3.438  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.281  -0.527  -3.995  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.772  -0.847   0.178  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.860  -0.032  -3.119  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  23
ATOM     11  C   LIG    1       -1.411   1.910  -0.166  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -2.296   0.702  -0.246  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -3.507   0.631   0.447  0.00  0.00    +0.074 A 
ATOM     14  N   LIG    1       -4.150   1.533   1.325  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1       -5.376   0.976   1.757  0.00  0.00    +0.330 A 
ATOM     16  N   LIG    1       -5.477  -0.280   1.138  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -6.563  -1.203   1.302  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1       -6.185   1.482   2.519  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -3.680   2.815   1.759  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -4.343  -0.494   0.348  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1       -4.027  -1.593  -0.418  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -2.814  -1.557  -1.099  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -1.941  -0.438  -1.019  0.00  0.00    +0.039 A 
ENDBRANCH   1  23
BRANCH   5  24
ATOM     24  C   LIG    1        4.520  -0.526   0.517  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.945   0.303   1.532  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.276   0.051   1.694  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.160   0.649   2.664  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.764  -0.849   0.819  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.690  -1.204   0.108  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1        2.140  -1.206   2.248  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        2.317  -0.104   3.031  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        3.149  -2.066   2.562  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 3