REMARK  Name = BDB019085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.599  -0.048   0.194  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.718  -0.993   0.778  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.631  -0.783   0.596  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.274  -1.841   1.183  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.433  -2.665   1.773  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.144   0.319  -0.110  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.326   1.173  -0.666  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.813  -2.146   1.522  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.031   0.967  -0.494  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.253  -1.584  -1.774  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.858  -0.815  -0.634  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.068  -0.105   0.278  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        3.718   0.576   1.312  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.106   0.536   1.410  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        5.830  -0.185   0.465  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1        5.215  -0.858  -0.548  0.00  0.00    -0.250 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.348  -0.248   0.549  0.00  0.00    +0.313 C 
ATOM     18  F   LIG    1        7.816  -1.533   0.588  0.00  0.00    -0.196 F 
ATOM     19  F   LIG    1        7.845   0.335   1.691  0.00  0.00    -0.196 F 
BRANCH  17  20
ATOM     20  C   LIG    1        8.013   0.468  -0.638  0.00  0.00    +0.238 C 
BRANCH  20  21
ATOM     21  O   LIG    1        7.947   1.900  -0.543  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        8.349   2.143   0.312  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  N   LIG    1       -2.503   0.506  -0.247  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.628   1.229  -0.957  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.284   0.904   0.923  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.708   1.167   0.524  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.540   0.180   0.002  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.255  -1.237  -0.331  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.683  -1.733  -0.562  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.528  -0.605  -0.883  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.848   0.468  -0.368  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.391   1.730  -0.240  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.583   2.732   0.295  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.264   2.445   0.671  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.518   3.438   1.178  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7