REMARK  Name = BDB018730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.760  -0.925  -1.829  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.415  -0.499  -1.332  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.623   0.003   0.109  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.176  -1.086   1.086  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -3.947  -1.896   1.596  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -1.827  -1.186   1.312  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -1.526  -1.994   1.845  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.898  -0.206   0.948  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.352   1.019   0.455  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.422   2.003   0.115  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.946   1.752   0.258  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.413   0.525   0.759  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        0.466  -0.451   1.111  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -2.832   1.286   0.394  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.131   0.255   0.186  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -5.730  -0.814  -0.714  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        2.855   0.272   0.916  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.739   0.426  -0.167  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        5.113   0.188  -0.035  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1        5.619  -0.210   1.201  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.758  -0.368   2.289  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.390  -0.130   2.148  0.00  0.00    +0.009 A 
BRANCH  19  23
ATOM     23  O   LIG    1        5.830   0.381  -1.182  0.00  0.00    -0.406 OA
BRANCH  23  24
ATOM     24  C   LIG    1        7.228   0.157  -1.133  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1        7.507  -1.123  -0.804  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        7.748   0.398  -2.357  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        7.825   0.990  -0.254  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  29
ATOM     28  N   LIG    1       -5.090  -2.399  -3.817  0.00  0.00    -0.174 NA
ATOM     29  C   LIG    1       -4.940  -1.717  -2.895  0.00  0.00    +0.169 C 
ENDBRANCH   1  29
TORSDOF 4