REMARK  Name = BDB005116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.792  -1.693   1.070  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.544  -1.603   0.445  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.552  -2.361   0.899  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.368  -3.219   1.982  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1       -1.386  -3.963   2.437  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.869  -3.332   2.606  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        1.948  -2.571   2.150  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        2.970   0.057  -0.275  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        2.924  -0.955   0.668  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.772  -1.128   1.194  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        2.018   0.546  -0.872  0.00  0.00    -0.270 OA
BRANCH   8  15
ATOM     12  C   LIG    1        6.856   1.735  -1.020  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.711   2.537  -1.028  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.451   1.984  -0.790  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.328   0.617  -0.526  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        5.470  -0.194  -0.533  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        6.730   0.366  -0.776  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        9.216   1.633  -1.304  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        8.022   2.405  -1.268  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -1.899  -2.235   0.232  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.482  -0.940   0.571  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.850  -0.180   0.334  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.740  -0.679  -0.016  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -4.387   0.546   0.251  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -5.631   0.753  -0.376  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1       -6.287   1.979  -0.132  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -5.727   2.955   0.715  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -4.510   2.734   1.339  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -6.160  -0.202  -1.174  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -5.471  -1.338  -1.334  0.00  0.00    +0.223 A 
ATOM     31  C   LIG    1       -3.846   1.537   1.109  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1       -4.289  -1.623  -0.795  0.00  0.00    -0.220 NA
BRANCH  26  33
ATOM     33  C   LIG    1       -7.609   2.336  -0.738  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1       -8.161   3.404  -0.493  0.00  0.00    -0.270 OA
ATOM     35  N   LIG    1       -8.202   1.444  -1.581  0.00  0.00    -0.325 N 
ATOM     36  H   LIG    1       -7.770   0.545  -1.773  0.00  0.00    +0.145 HD
ATOM     37  H   LIG    1       -9.103   1.667  -1.978  0.00  0.00    +0.145 HD
ENDBRANCH  26  33
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7