T1	T2	T3	KS	TYPE1	TYPE2	TYPE3	REMARK
c4	c4	c4	0.340	109.470	109.510	109.500	"Allinger, MM2 (1991)"
c4	c4	c3	0.360	109.470	109.510	109.500	"Allinger, MM2 (1991)"
c4	c3	c4	0.220	117.200	0.000	0.000	"Allinger, MM2 (1991)"
c4	c3	c3	0.340	121.400	122.000	120.000	"Allinger, MM2 (1991)"
c3	c4	c3	0.340	109.470	109.510	109.500	"Allinger, MM2 (1991)"
c3	c3	c3	0.340	120.000	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	co	0.340	107.800	109.900	111.000	"Allinger, MM2 (1991)"
c4	co	c4	0.300	116.600	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	o2	0.530	107.400	0.000	0.000	"Allinger, MM2 (1991)"
c4	o2	c4	0.580	106.800	0.000	0.000	"Allinger, MM2 (1991)"
c4	co	o2	0.480	106.500	0.000	0.000	"Allinger, MM2 (1991)"
c4	o2	co	0.450	109.900	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	n3	0.320	108.800	0.000	0.000	"Allinger, MM2 (1991)"
c4	n3	c4	0.470	107.700	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	n2	0.550	106.500	0.000	0.000	"Allinger, MM2 (1991)"
c4	co	n2	0.660	113.000	0.000	0.000	"Allinger, MM2 (1991)"
c4	n2	co	0.600	119.800	0.000	0.000	"Allinger, MM2 (1991)"
c4	co	f	0.490	88.000	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	s2	0.500	106.500	106.500	105.800	"Allinger, MM2 (1991)"
c4	s2	c4	0.650	96.500	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	si	0.300	94.500	0.000	94.500	"Allinger, MM2 (1991)"
c4	si	c4	0.450	90.500	0.000	90.500	"Allinger, MM2 (1991)"
c4	c4	cp	0.340	0.000	112.300	112.300	"Allinger, MM2 (1991)"
c4	cp	cp	0.340	0.000	119.300	0.000	"Allinger, MM2 (1991)"
co	cp	cp	0.340	119.300	119.300	119.300	"Allinger, MM2 (1991)"
cp	co	cp	0.300	116.600	0.000	0.000	"Allinger, MM2 (1991)"
cp	cp	cp	0.450	112.500	98.000	0.000	"Allinger, MM2 (1991)"
c4	c4	ge	0.640	92.000	0.000	0.000	"Allinger, MM2 (1991)"
c4	ge	c4	0.490	88.000	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	na	0.350	110.740	0.000	0.000	"Allinger, MM2 (1991)"
c4	na	na	0.620	106.500	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	nh	0.450	108.800	0.000	0.000	"Allinger, MM2 (1991)"
c4	nh	c4	0.380	107.700	0.000	0.000	"Allinger, MM2 (1991)"
c4	c4	nb	0.350	110.740	0.000	0.000	"Allinger, MM2 (1991)"
c4	na	nb	0.480	99.100	0.000	0.000	"Allinger, MM2 (1991)"
c4	nb	na	0.350	114.000	0.000	0.000	"Allinger, MM2 (1991)"
c3	c3	ca	0.340	120.000	0.000	0.000	"c3->ca"
c3	c4	ca	0.340	109.470	109.510	109.500	"c3->ca"
c3	ca	c3	0.340	120.000	0.000	0.000	"c3->ca"
c3	ca	c4	0.340	121.400	122.000	120.000	"c3->ca"
c3	ca	ca	0.340	120.000	0.000	0.000	"c3->ca"
c4	c3	ca	0.340	121.400	122.000	120.000	"c3->ca"
c4	c4	ca	0.360	109.470	109.510	109.500	"c3->ca"
c4	ca	c4	0.220	117.200	0.000	0.000	"c3->ca"
c4	ca	ca	0.340	121.400	122.000	120.000	"c3->ca"
ca	c3	ca	0.340	120.000	0.000	0.000	"c3->ca"
ca	c4	ca	0.340	109.470	109.510	109.500	"c3->ca"
ca	ca	ca	0.340	120.000	0.000	0.000	"c3->ca"
