B1	B2	KR	REQ	REFERENCE
C	C	450.0000	1.3800	"J. Comput. Chem. 4, 187 (1983)"
C	CH1E	405.0000	1.5200	"J. Comput. Chem. 4, 187 (1983)"
C	CH2E	405.0000	1.5200	"J. Comput. Chem. 4, 187 (1983)"
C	CH3E	405.0000	1.5200	"J. Comput. Chem. 4, 187 (1983)"
C	CH3E	405.0000	1.5200	"J. Comput. Chem. 4, 187 (1983)"
C	CR1E	450.0000	1.3800	"J. Comput. Chem. 4, 187 (1983)"
C	CT	405.0000	1.5300	"J. Comput. Chem. 4, 187 (1983)"
C	N	471.0000	1.3300	"J. Comput. Chem. 4, 187 (1983)"
C	NC2	400.0000	1.3300	"J. Comput. Chem. 4, 187 (1983)"
C	NH1	471.0000	1.3300	"J. Comput. Chem. 4, 187 (1983)"
C	NH2	471.0000	1.3300	"J. Comput. Chem. 4, 187 (1983)"
C	NP	471.0000	1.3300	"J. Comput. Chem. 4, 187 (1983)"
C	NR	471.0000	1.3300	"J. Comput. Chem. 4, 187 (1983)"
C	O	580.0000	1.2300	"J. Comput. Chem. 4, 187 (1983)"
C	OC	580.0000	1.2300	"J. Comput. Chem. 4, 187 (1983)"
C	OH1	450.0000	1.3800	"J. Comput. Chem. 4, 187 (1983)"
CH1E	CH1E	225.0000	1.5300	"J. Comput. Chem. 4, 187 (1983)"
CH1E	CH2E	225.0000	1.5200	"J. Comput. Chem. 4, 187 (1983)"
CH1E	CH3E	225.0000	1.5200	"J. Comput. Chem. 4, 187 (1983)"
CH1E	N	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH1E	NH1	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH1E	NH2	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH1E	NH3	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH1E	OH1	400.0000	1.4200	"J. Comput. Chem. 4, 187 (1983)"
CH2E	CH2E	225.0000	1.5200	"J. Comput. Chem. 4, 187 (1983)"
CH2E	CH3E	225.0000	1.5400	"J. Comput. Chem. 4, 187 (1983)"
CH2E	CR1E	250.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH2E	N	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH2E	NH1	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH2E	NH2	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH2E	NH3	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CH2E	OH1	400.0000	1.4200	"J. Comput. Chem. 4, 187 (1983)"
CH2E	S	450.0000	1.8100	"J. Comput. Chem. 4, 187 (1983)"
CH2E	SH1E	450.0000	1.8100	"J. Comput. Chem. 4, 187 (1983)"
CH3E	NH1	422.0000	1.4900	"J. Comput. Chem. 4, 187 (1983)"
CH3E	S	450.0000	1.7700	"J. Comput. Chem. 4, 187 (1983)"
CR1E	CR1E	450.0000	1.3800	"J. Comput. Chem. 4, 187 (1983)"
CR1E	NH1	450.0000	1.3050	"J. Comput. Chem. 4, 187 (1983)"
CR1E	NR	450.0000	1.3050	"J. Comput. Chem. 4, 187 (1983)"
CT	CT	200.0000	1.5300	"J. Comput. Chem. 4, 187 (1983)"
CT	N	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CT	NC2	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CT	NH1	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CT	NH2	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CT	NH3	422.0000	1.4500	"J. Comput. Chem. 4, 187 (1983)"
CT	OH1	400.0000	1.4200	"J. Comput. Chem. 4, 187 (1983)"
CT	S	450.0000	1.8100	"J. Comput. Chem. 4, 187 (1983)"
FE	NP	500.0000	2.0900	"J. Comput. Chem. 4, 187 (1983)"
FE	NR	65.0000	1.9800	"J. Comput. Chem. 4, 187 (1983)"
H	NH1	405.0000	0.9800	"J. Comput. Chem. 4, 187 (1983)"
H	NH2	405.0000	0.9800	"J. Comput. Chem. 4, 187 (1983)"
H	OH1	450.0000	0.9600	"J. Comput. Chem. 4, 187 (1983)"
H	OH2	450.0000	0.9600	"J. Comput. Chem. 4, 187 (1983)"
HA	C	350.0000	1.0800	"J. Comput. Chem. 4, 187 (1983)"
HA	CT	300.0000	1.0800	"J. Comput. Chem. 4, 187 (1983)"
HC	NC2	405.0000	1.0000	"J. Comput. Chem. 4, 187 (1983)"
HC	NH1	405.0000	0.9800	"J. Comput. Chem. 4, 187 (1983)"
HC	NH3	405.0000	1.0400	"J. Comput. Chem. 4, 187 (1983)"
HT	OT	450.0000	0.9572	TIP3P with H-OH2 force constant
OC	S	400.0000	1.4300	"J. Comput. Chem. 4, 187 (1983)"
S	S	500.0000	2.0200	"J. Comput. Chem. 4, 187 (1983)"
