REMARK  Name = BDB005044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.869  -0.334  -2.998  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        0.342  -1.459  -2.100  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.097  -1.758  -0.811  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        2.092  -0.905  -0.296  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.772  -1.213   0.887  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.451  -2.395   1.565  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        1.467  -3.252   1.074  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.796  -2.935  -0.104  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.775  -0.400   1.460  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        4.168  -0.749   2.326  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.273   0.803   0.975  0.00  0.00    +0.226 C 
ATOM     12  O   LIG    1        3.930   1.363  -0.057  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.327   1.363   1.891  0.00  0.00    +0.209 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.843   2.679   1.385  0.00  0.00    +0.398 C 
ATOM     15  F   LIG    1        6.447   2.576   0.184  0.00  0.00    -0.170 F 
ATOM     16  F   LIG    1        4.884   3.624   1.321  0.00  0.00    -0.170 F 
ATOM     17  F   LIG    1        6.783   3.140   2.253  0.00  0.00    -0.170 F 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  N   LIG    1       -1.111  -1.359  -1.883  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -1.607  -1.372  -2.768  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.639  -0.321  -1.093  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1       -3.021  -0.304  -0.809  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -3.497   0.770  -0.031  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -4.879   0.808   0.252  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.751  -0.195  -0.214  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.270  -1.256  -0.964  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -2.644   1.717   0.421  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -1.349   1.589   0.112  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -3.915  -1.310  -1.257  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1       -0.813   0.621  -0.624  0.00  0.00    -0.220 NA
BRANCH  23  30
ATOM     30  C   LIG    1       -5.522   1.894   1.058  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1       -6.724   1.886   1.304  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1       -4.741   2.910   1.522  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -3.740   2.918   1.348  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -5.161   3.638   2.082  0.00  0.00    +0.145 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7