// torsion parameters 09.05.2000 (based on Tripos 5.2 and MMFF94)
// [id #1] [id #2] [id #3] [id #4] [bt12][bt23][bt34] [k] [s]

// ordering should be made similarly as in parameters1.txt!!!!!!!
// original Tripos 5.2 did not contain all these bond types here...

// [k] = kcal/mol (rotational barrier ???)

0x0801 0x0601 0x0600 0x0600 ?S?  0.700 -3.0
0x0601 0x0600 0x0600 0x0601 ?S?  0.040 +3.0
0x0601 0x0600 0x0600 0x0600 ?S?  0.126 +3.0
0x0600 0x0600 0x0600 0x0600 ?S?  0.500 +3.0
0x0601 0x0601 0x0600 0x0601 ?S?  0.126 -3.0
0x0601 0x0601 0x0600 0x0100 ?S?  0.273 -3.0
0x0600 0x0601 0x0600 0x0601 ?S?  0.126 +3.0
0x0600 0x0601 0x0600 0x0600 ?S?  0.126 +3.0
0x0600 0x0601 0x0600 0x0100 ?S?  0.274 +3.0
0x0100 0x0601 0x0600 0x0601 ?S?  0.274 +3.0
0x0100 0x0601 0x0600 0x0600 ?S?  0.274 +3.0
0x0100 0x0601 0x0600 0x0100 ?S?  0.274 +3.0
0x0601 0x0601 0x0600 0x0600 ?S?  0.126 -3.0

0xFFFF 0x0601 0x0600 0x0601 ?S?  0.126 +3.0
0xFFFF 0x0601 0x0600 0x0600 ?S?  0.126 +3.0
0xFFFF 0x0601 0x0600 0x0100 ?S?  0.274 +3.0
0xFFFF 0x0600 0x0600 0x0100 ?S?  0.320 +3.0
0x0601 0x0601 0x0600 0xFFFF ?S?  0.126 -3.0
0x0600 0x0601 0x0600 0xFFFF ?S?  0.126 +3.0
0x0100 0x0601 0x0600 0xFFFF ?S?  0.274 +3.0

0xFFFF 0x0602 0x0602 0xFFFF ?T?  0.000 +1.0
0xFFFF 0x0602 0x0602 0xFFFF ?S?  0.000 +1.0
0xFFFF 0x0602 0x0601 0xFFFF ?S?  0.000 +1.0
0xFFFF 0x0602 0x0601 0xFFFF ?D?  0.000 +1.0
0xFFFF 0x0601 0x0601 0xFFFF ?D? 12.500 -2.0
0xFFFF 0x0601 0x0601 0xFFFF ?S?  1.424 -2.0
0xFFFF 0x0602 0x0600 0xFFFF ?S?  0.000 +1.0
0xFFFF 0x0601 0x0600 0xFFFF ?S?  0.120 -3.0
0xFFFF 0x0600 0x0600 0xFFFF ?S?  0.200 +3.0
0xFFFF 0x0602 0x0603 0xFFFF ?S?  0.000 +1.0
0xFFFF 0x0601 0x0603 0xFFFF ?S?  1.600 -2.0
0xFFFF 0x0600 0x0603 0xFFFF ?S?  0.120 -3.0
0xFFFF 0x0603 0x0603 0xFFFF ?C?  2.000 -2.0
0xFFFF 0x0603 0x0603 0xFFFF ?S?  0.600 -2.0
0xFFFF 0x0602 0x0701 0xFFFF ?S?  0.000 +1.0
0xFFFF 0x0602 0x0701 0xFFFF ?D?  0.000 +1.0
0xFFFF 0x0601 0x0701 0xFFFF ?D? 12.000 -2.0
0xFFFF 0x0601 0x0701 0xFFFF ?S? 12.000 -2.0
0xFFFF 0x0600 0x0701 0xFFFF ?S?  0.400 -3.0
0xFFFF 0x0603 0x0701 0xFFFF ?S?  1.600 -2.0
0xFFFF 0x0701 0x0701 0xFFFF ?D?  1.600 -2.0
0xFFFF 0x0701 0x0701 0xFFFF ?S?  1.600 -2.0
0xFFFF 0x0601 0x0700 0xFFFF ?S?  0.120 -3.0
0xFFFF 0x0600 0x0700 0xFFFF ?S?  0.200 +3.0
0xFFFF 0x0603 0x0700 0xFFFF ?S?  0.120 -3.0
0xFFFF 0x0700 0x0700 0xFFFF ?S?  0.200 +3.0
0xFFFF 0x0601 0x0705 0xFFFF ?S?  6.460 -2.0
0xFFFF 0x0600 0x0705 0xFFFF ?S?  0.200 +3.0
0xFFFF 0x0603 0x0705 0xFFFF ?S?  1.600 -2.0
0xFFFF 0x0701 0x0705 0xFFFF ?S?  1.600 -2.0
0xFFFF 0x0700 0x0705 0xFFFF ?S?  0.120 -3.0
0xFFFF 0x0705 0x0705 0xFFFF ?S?  1.600 -2.0
0xFFFF 0x0603 0x0703 0xFFFF ?C?  1.600 -2.0
0xFFFF 0x0601 0x0800 0xFFFF ?S?  5.800 -2.0
0xFFFF 0x0600 0x0800 0xFFFF ?S?  1.200 +3.0
0xFFFF 0x0603 0x0800 0xFFFF ?S?  1.200 -2.0
0xFFFF 0x0701 0x0800 0xFFFF ?S?  1.000 +2.0
0xFFFF 0x0700 0x0800 0xFFFF ?S?  0.200 +3.0
0xFFFF 0x0601 0x0F00 0xFFFF ?S?  1.000 -2.0
0xFFFF 0x0600 0x0F00 0xFFFF ?S?  0.400 +3.0
0xFFFF 0x0603 0x0F00 0xFFFF ?S?  1.000 +3.0
0xFFFF 0x0800 0x0F00 0xFFFF ?S?  0.400 +3.0
0xFFFF 0x0601 0x1001 0xFFFF ?D?  1.000 -2.0
0xFFFF 0x0600 0x1001 0xFFFF ?S?  0.400 +3.0
0xFFFF 0x0603 0x1001 0xFFFF ?S?  1.000 +3.0
0xFFFF 0x0700 0x1001 0xFFFF ?S?  0.400 +3.0
0xFFFF 0x0601 0x1000 0xFFFF ?S?  1.000 -2.0
0xFFFF 0x0600 0x1000 0xFFFF ?S?  0.400 +3.0
0xFFFF 0x0603 0x1000 0xFFFF ?S?  1.000 +3.0
0xFFFF 0x1000 0x1000 0xFFFF ?S?  4.000 +3.0

#end	// EOF !!!
