REMARK  Name = BDB005041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283  -1.691   1.771  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.163  -1.218   1.639  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1        1.671  -0.943   0.354  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.974  -0.461   0.164  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        3.783  -0.255   1.279  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        3.295  -0.513   2.562  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.994  -0.984   2.743  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1        3.373  -0.200  -1.162  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        2.680  -0.396  -1.874  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        4.596   0.265  -1.595  0.00  0.00    +0.226 C 
ATOM     11  O   LIG    1        5.577   0.532  -0.918  0.00  0.00    -0.275 OA
BRANCH  10  12
ATOM     12  C   LIG    1        4.672   0.502  -3.054  0.00  0.00    +0.150 C 
ATOM     13  C   LIG    1        4.205  -0.504  -4.036  0.00  0.00    +0.261 C 
ATOM     14  F   LIG    1        3.552  -0.089  -5.173  0.00  0.00    -0.205 F 
ATOM     15  F   LIG    1        3.592  -1.661  -3.617  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.660  -0.307  -3.885  0.00  0.00    +0.095 C 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     17  C   LIG    1       -1.910  -3.236   2.980  0.00  0.00    +0.006 C 
ATOM     18  C   LIG    1       -0.545  -2.558   3.023  0.00  0.00    +0.024 C 
ENDBRANCH   1  18
BRANCH   1  19
ATOM     19  N   LIG    1       -1.148  -0.506   1.847  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -0.634   0.291   2.212  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.860  -0.119   0.696  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -2.679   1.031   0.743  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -3.374   1.363  -0.437  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -4.184   2.519  -0.415  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -4.308   3.307   0.746  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -3.635   2.962   1.906  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1       -3.265   0.584  -1.535  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -2.487  -0.500  -1.460  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1       -2.829   1.833   1.904  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1       -1.778  -0.886  -0.401  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1       -4.972   2.991  -1.598  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -5.755   3.932  -1.512  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -4.813   2.346  -2.789  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -4.304   1.466  -2.827  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -5.429   2.592  -3.550  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7